N-[[4-[[bis(cyclopropylmethyl)amino]methyl]-3-bromophenyl]methyl]ethanamine

C18H27BrN2 — CID 102771251

IUPACN-[[4-[[bis(cyclopropylmethyl)amino]methyl]-3-bromophenyl]methyl]ethanamine
SMILESCCNCc1ccc(CN(CC2CC2)CC2CC2)c(Br)c1
InChIInChI=1S/C18H27BrN2/c1-2-20-10-16-7-8-17(18(19)9-16)13-21(11-14-3-4-14)12-15-5-6-15/h7-9,14-15,20H,2-6,10-13H2,1H3
InChIKeyMAGYFVRJDVEDKR-UHFFFAOYSA-N
MW351.33 g/mol
LogP4.18
Rot. Bonds9

About N-[[4-[[bis(cyclopropylmethyl)amino]methyl]-3-bromophenyl]methyl]ethanamine

N-[[4-[[bis(cyclopropylmethyl)amino]methyl]-3-bromophenyl]methyl]ethanamine (PubChem CID 102771251) has the molecular formula C18H27BrN2 and a molecular weight of 351.33 g/mol. Its IUPAC name is N-[[4-[[bis(cyclopropylmethyl)amino]methyl]-3-bromophenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-[[bis(cyclopropylmethyl)amino]methyl]-3-bromophenyl]methyl]ethanamine
PubChem CID102771251
Molecular FormulaC18H27BrN2
Molecular Weight351.33 g/mol
Exact Mass350.14
IUPAC NameN-[[4-[[bis(cyclopropylmethyl)amino]methyl]-3-bromophenyl]methyl]ethanamine
SMILESCCNCc1ccc(CN(CC2CC2)CC2CC2)c(Br)c1
InChIInChI=1S/C18H27BrN2/c1-2-20-10-16-7-8-17(18(19)9-16)13-21(11-14-3-4-14)12-15-5-6-15/h7-9,14-15,20H,2-6,10-13H2,1H3
InChIKeyMAGYFVRJDVEDKR-UHFFFAOYSA-N
XLogP4.18
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.33
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[4-[[bis(cyclopropylmethyl)amino]methyl]-3-bromophenyl]methyl]ethanamine 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

N-[[2-bromo-4-(ethylaminomethyl)phenyl]methyl]-N-ethyl-2-methylpropan-1-amine
CID 102769521
N-[[2-bromo-4-(ethylaminomethyl)phenyl]methyl]-N-ethyl-2,2,2-trifluoroethanamine
CID 102770001
N-[[3-[[cyclopropylmethyl(ethyl)amino]methyl]phenyl]methyl]ethanamine
CID 63939316
N-[[3-bromo-4-(cyclohexylmethoxymethyl)phenyl]methyl]ethanamine
CID 102773481
N-[[3-bromo-4-[[cyclobutylmethyl(methyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine
CID 102770757
N-[[4-[[cyclopropylmethyl(methyl)amino]methyl]phenyl]methyl]ethanamine
CID 62426751
N-[[3-bromo-4-(methoxymethyl)phenyl]methyl]ethanamine
CID 102772329
N-[(3,4-dibromophenyl)methyl]ethanamine
CID 115692981
N-[[4-(aminomethyl)-2-bromophenyl]methyl]-N-(cyclopropylmethyl)prop-2-yn-1-amine
CID 102771669
N-[[3-bromo-4-[[ethyl(propyl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 102769498
N-[[3-bromo-4-[(4-bromophenyl)methoxymethyl]phenyl]methyl]ethanamine
CID 102773976
5-bromo-N-(cyclopropylmethyl)-N-ethyl-2-(ethylaminomethyl)aniline
CID 63956035

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[bis(cyclopropylmethyl)amino]methyl]-3-bromophenyl]methyl]ethanamine?
The IUPAC name of N-[[4-[[bis(cyclopropylmethyl)amino]methyl]-3-bromophenyl]methyl]ethanamine (CID 102771251) is N-[[4-[[bis(cyclopropylmethyl)amino]methyl]-3-bromophenyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-[[bis(cyclopropylmethyl)amino]methyl]-3-bromophenyl]methyl]ethanamine?
The canonical SMILES for N-[[4-[[bis(cyclopropylmethyl)amino]methyl]-3-bromophenyl]methyl]ethanamine is CCNCc1ccc(CN(CC2CC2)CC2CC2)c(Br)c1.
What is the InChIKey of N-[[4-[[bis(cyclopropylmethyl)amino]methyl]-3-bromophenyl]methyl]ethanamine?
The InChIKey is MAGYFVRJDVEDKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27BrN2/c1-2-20-10-16-7-8-17(18(19)9-16)13-21(11-14-3-4-14)12-15-5-6-15/h7-9,14-15,20H,2-6,10-13H2,1H3.
What are the key properties of N-[[4-[[bis(cyclopropylmethyl)amino]methyl]-3-bromophenyl]methyl]ethanamine?
N-[[4-[[bis(cyclopropylmethyl)amino]methyl]-3-bromophenyl]methyl]ethanamine has a molecular weight of 351.33 g/mol, XLogP of 4.18, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[bis(cyclopropylmethyl)amino]methyl]-3-bromophenyl]methyl]ethanamine is sourced from PubChem (CID 102771251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).