N-[1-(3,4-difluorophenyl)ethyl]naphthalen-1-amine

C18H15F2N — CID 43108042

IUPACN-[1-(3,4-difluorophenyl)ethyl]naphthalen-1-amine
SMILESCC(Nc1cccc2ccccc12)c1ccc(F)c(F)c1
InChIInChI=1S/C18H15F2N/c1-12(14-9-10-16(19)17(20)11-14)21-18-8-4-6-13-5-2-3-7-15(13)18/h2-12,21H,1H3
InChIKeyJNMCHCBCNSRWAQ-UHFFFAOYSA-N
MW283.32 g/mol
LogP5.29
Rot. Bonds3

About N-[1-(3,4-difluorophenyl)ethyl]naphthalen-1-amine

N-[1-(3,4-difluorophenyl)ethyl]naphthalen-1-amine (PubChem CID 43108042) has the molecular formula C18H15F2N and a molecular weight of 283.32 g/mol. Its IUPAC name is N-[1-(3,4-difluorophenyl)ethyl]naphthalen-1-amine.

Molecular Properties

Compound NameN-[1-(3,4-difluorophenyl)ethyl]naphthalen-1-amine
PubChem CID43108042
Molecular FormulaC18H15F2N
Molecular Weight283.32 g/mol
Exact Mass283.12
IUPAC NameN-[1-(3,4-difluorophenyl)ethyl]naphthalen-1-amine
SMILESCC(Nc1cccc2ccccc12)c1ccc(F)c(F)c1
InChIInChI=1S/C18H15F2N/c1-12(14-9-10-16(19)17(20)11-14)21-18-8-4-6-13-5-2-3-7-15(13)18/h2-12,21H,1H3
InChIKeyJNMCHCBCNSRWAQ-UHFFFAOYSA-N
XLogP5.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.32
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(3,4-difluorophenyl)ethyl]-2-iodoaniline
CID 43124742
2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-N-naphthalen-1-ylacetamide
CID 9376373
N-[1-(3,4-difluorophenyl)ethyl]-2-propan-2-yloxyaniline
CID 43739215
2-bromo-3-chloro-N-[1-(3,4-difluorophenyl)ethyl]aniline
CID 103477852
N-[1-(3,4-difluorophenyl)ethyl]-2-propoxyaniline
CID 43682271
N-[1-(3-chloro-4-fluorophenyl)ethyl]isoquinolin-5-amine
CID 43681264
N-[1-(3,4-difluorophenyl)ethyl]-6-fluoropyridin-2-amine
CID 115591051
1-(3,4-difluorophenyl)-N-methyl-1-naphthalen-1-ylmethanamine
CID 43484617
2,6-dichloro-N-[1-(3,4-difluorophenyl)ethyl]aniline
CID 65468567
2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-N-[(1R)-1-naphthalen-1-ylethyl]acetamide
CID 8638957
N-[1-(3,4-difluorophenyl)ethyl]-2-methyl-3-nitroaniline
CID 43719632
5-bromo-2-fluoro-N-(1-naphthalen-2-ylethyl)aniline
CID 43555393

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]naphthalen-1-amine?
The IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]naphthalen-1-amine (CID 43108042) is N-[1-(3,4-difluorophenyl)ethyl]naphthalen-1-amine.
What is the SMILES notation for N-[1-(3,4-difluorophenyl)ethyl]naphthalen-1-amine?
The canonical SMILES for N-[1-(3,4-difluorophenyl)ethyl]naphthalen-1-amine is CC(Nc1cccc2ccccc12)c1ccc(F)c(F)c1.
What is the InChIKey of N-[1-(3,4-difluorophenyl)ethyl]naphthalen-1-amine?
The InChIKey is JNMCHCBCNSRWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N/c1-12(14-9-10-16(19)17(20)11-14)21-18-8-4-6-13-5-2-3-7-15(13)18/h2-12,21H,1H3.
What are the key properties of N-[1-(3,4-difluorophenyl)ethyl]naphthalen-1-amine?
N-[1-(3,4-difluorophenyl)ethyl]naphthalen-1-amine has a molecular weight of 283.32 g/mol, XLogP of 5.29, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-difluorophenyl)ethyl]naphthalen-1-amine is sourced from PubChem (CID 43108042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).