N-butyl-N-[[1-[2-ethyl-3-(4-fluorophenyl)naphthalen-1-yl]-3-(4-fluorophenyl)naphthalen-2-yl]methyl]butan-1-amine

C43H43F2N — CID 90147107

IUPACN-butyl-N-[[1-[2-ethyl-3-(4-fluorophenyl)naphthalen-1-yl]-3-(4-fluorophenyl)naphthalen-2-yl]methyl]butan-1-amine
SMILESCCCCN(CCCC)Cc1c(-c2ccc(F)cc2)cc2ccccc2c1-c1c(CC)c(-c2ccc(F)cc2)cc2ccccc12
InChIInChI=1S/C43H43F2N/c1-4-7-25-46(26-8-5-2)29-41-40(31-19-23-35(45)24-20-31)28-33-14-10-12-16-38(33)43(41)42-36(6-3)39(30-17-21-34(44)22-18-30)27-32-13-9-11-15-37(32)42/h9-24,27-28H,4-8,25-26,29H2,1-3H3
InChIKeyFPEKKLKRNMFIQK-UHFFFAOYSA-N
MW611.82 g/mol
LogP12.24
Rot. Bonds12

About N-butyl-N-[[1-[2-ethyl-3-(4-fluorophenyl)naphthalen-1-yl]-3-(4-fluorophenyl)naphthalen-2-yl]methyl]butan-1-amine

N-butyl-N-[[1-[2-ethyl-3-(4-fluorophenyl)naphthalen-1-yl]-3-(4-fluorophenyl)naphthalen-2-yl]methyl]butan-1-amine (PubChem CID 90147107) has the molecular formula C43H43F2N and a molecular weight of 611.82 g/mol. Its IUPAC name is N-butyl-N-[[1-[2-ethyl-3-(4-fluorophenyl)naphthalen-1-yl]-3-(4-fluorophenyl)naphthalen-2-yl]methyl]butan-1-amine.

Molecular Properties

Compound NameN-butyl-N-[[1-[2-ethyl-3-(4-fluorophenyl)naphthalen-1-yl]-3-(4-fluorophenyl)naphthalen-2-yl]methyl]butan-1-amine
PubChem CID90147107
Molecular FormulaC43H43F2N
Molecular Weight611.82 g/mol
Exact Mass611.34
IUPAC NameN-butyl-N-[[1-[2-ethyl-3-(4-fluorophenyl)naphthalen-1-yl]-3-(4-fluorophenyl)naphthalen-2-yl]methyl]butan-1-amine
SMILESCCCCN(CCCC)Cc1c(-c2ccc(F)cc2)cc2ccccc2c1-c1c(CC)c(-c2ccc(F)cc2)cc2ccccc12
InChIInChI=1S/C43H43F2N/c1-4-7-25-46(26-8-5-2)29-41-40(31-19-23-35(45)24-20-31)28-33-14-10-12-16-38(33)43(41)42-36(6-3)39(30-17-21-34(44)22-18-30)27-32-13-9-11-15-37(32)42/h9-24,27-28H,4-8,25-26,29H2,1-3H3
InChIKeyFPEKKLKRNMFIQK-UHFFFAOYSA-N
XLogP12.24
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.82
LogP ≤ 512.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-butyl-N-[[1-[2-ethyl-3-(4-fluorophenyl)naphthalen-1-yl]-3-(4-fluorophenyl)naphthalen-2-yl]methyl]butan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Butenafine
CID 2484
Naftifine
CID 47641
Xaliproden
CID 128919
Butenafine Hydrochloride
CID 443867
Naftifine Hydrochloride
CID 5281098
Xaliproden Hydrochloride
CID 128918
N-(1-naphthylmethyl)-N-(2-naphthylmethyl)amine
CID 2817655
1-(2-Naphthylmethyl)-4-benzylpiperazine
CID 1376821
N-methyl(1-naphthyl)-N-(1-naphthylmethyl)methanamine
CID 223156
Dimethyldodecyl(1-naphthylmethyl)ammonium chloride
CID 61271
Piperidine, 1-(2-naphthalenylmethyl)-
CID 204543
N-methyl-N-(1-naphthalenylmethyl)-3-phenyl-2-propen-1-amine
CID 73342

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[[1-[2-ethyl-3-(4-fluorophenyl)naphthalen-1-yl]-3-(4-fluorophenyl)naphthalen-2-yl]methyl]butan-1-amine?
The IUPAC name of N-butyl-N-[[1-[2-ethyl-3-(4-fluorophenyl)naphthalen-1-yl]-3-(4-fluorophenyl)naphthalen-2-yl]methyl]butan-1-amine (CID 90147107) is N-butyl-N-[[1-[2-ethyl-3-(4-fluorophenyl)naphthalen-1-yl]-3-(4-fluorophenyl)naphthalen-2-yl]methyl]butan-1-amine.
What is the SMILES notation for N-butyl-N-[[1-[2-ethyl-3-(4-fluorophenyl)naphthalen-1-yl]-3-(4-fluorophenyl)naphthalen-2-yl]methyl]butan-1-amine?
The canonical SMILES for N-butyl-N-[[1-[2-ethyl-3-(4-fluorophenyl)naphthalen-1-yl]-3-(4-fluorophenyl)naphthalen-2-yl]methyl]butan-1-amine is CCCCN(CCCC)Cc1c(-c2ccc(F)cc2)cc2ccccc2c1-c1c(CC)c(-c2ccc(F)cc2)cc2ccccc12.
What is the InChIKey of N-butyl-N-[[1-[2-ethyl-3-(4-fluorophenyl)naphthalen-1-yl]-3-(4-fluorophenyl)naphthalen-2-yl]methyl]butan-1-amine?
The InChIKey is FPEKKLKRNMFIQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H43F2N/c1-4-7-25-46(26-8-5-2)29-41-40(31-19-23-35(45)24-20-31)28-33-14-10-12-16-38(33)43(41)42-36(6-3)39(30-17-21-34(44)22-18-30)27-32-13-9-11-15-37(32)42/h9-24,27-28H,4-8,25-26,29H2,1-3H3.
What are the key properties of N-butyl-N-[[1-[2-ethyl-3-(4-fluorophenyl)naphthalen-1-yl]-3-(4-fluorophenyl)naphthalen-2-yl]methyl]butan-1-amine?
N-butyl-N-[[1-[2-ethyl-3-(4-fluorophenyl)naphthalen-1-yl]-3-(4-fluorophenyl)naphthalen-2-yl]methyl]butan-1-amine has a molecular weight of 611.82 g/mol, XLogP of 12.24, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[[1-[2-ethyl-3-(4-fluorophenyl)naphthalen-1-yl]-3-(4-fluorophenyl)naphthalen-2-yl]methyl]butan-1-amine is sourced from PubChem (CID 90147107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).