1-(aminomethyl)-N-(3-bromo-4-fluorophenyl)-4-methylcycloheptan-1-amine

C15H22BrFN2 — CID 104776358

IUPAC1-(aminomethyl)-N-(3-bromo-4-fluorophenyl)-4-methylcycloheptan-1-amine
SMILESCC1CCCC(CN)(Nc2ccc(F)c(Br)c2)CC1
InChIInChI=1S/C15H22BrFN2/c1-11-3-2-7-15(10-18,8-6-11)19-12-4-5-14(17)13(16)9-12/h4-5,9,11,19H,2-3,6-8,10,18H2,1H3
InChIKeyQEOXVEULAFUNQV-UHFFFAOYSA-N
MW329.26 g/mol
LogP4.30
Rot. Bonds3

About 1-(aminomethyl)-N-(3-bromo-4-fluorophenyl)-4-methylcycloheptan-1-amine

1-(aminomethyl)-N-(3-bromo-4-fluorophenyl)-4-methylcycloheptan-1-amine (PubChem CID 104776358) has the molecular formula C15H22BrFN2 and a molecular weight of 329.26 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(3-bromo-4-fluorophenyl)-4-methylcycloheptan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-(3-bromo-4-fluorophenyl)-4-methylcycloheptan-1-amine
PubChem CID104776358
Molecular FormulaC15H22BrFN2
Molecular Weight329.26 g/mol
Exact Mass328.10
IUPAC Name1-(aminomethyl)-N-(3-bromo-4-fluorophenyl)-4-methylcycloheptan-1-amine
SMILESCC1CCCC(CN)(Nc2ccc(F)c(Br)c2)CC1
InChIInChI=1S/C15H22BrFN2/c1-11-3-2-7-15(10-18,8-6-11)19-12-4-5-14(17)13(16)9-12/h4-5,9,11,19H,2-3,6-8,10,18H2,1H3
InChIKeyQEOXVEULAFUNQV-UHFFFAOYSA-N
XLogP4.30
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.26
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(aminomethyl)-N-(3-bromo-4-fluorophenyl)-4-methylcycloheptan-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

N-[1-(aminomethyl)cyclopentyl]-3-bromo-4-fluoroaniline
CID 104776301
1-(aminomethyl)-N-(3-fluorophenyl)-4-methylcycloheptan-1-amine
CID 65383824
4-(aminomethyl)-N-(3-bromo-4-fluorophenyl)-2-ethyloxan-4-amine
CID 104776461
3-(aminomethyl)-N-(3-bromo-4-fluorophenyl)-5,5-dimethylthian-3-amine
CID 104776489
N-[1-(aminomethyl)-3-methylcyclohexyl]-3-methylaniline
CID 65379249
1-[(3-bromo-4-fluorophenyl)methyl]-4-methylcycloheptan-1-amine
CID 65079897
1-(aminomethyl)-N-(3-bromo-4-fluorophenyl)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-amine
CID 104776336
N-(3-bromo-4-fluorophenyl)-4-methylcycloheptan-1-amine
CID 104776025
4-[[1-(aminomethyl)-3-methylcyclohexyl]amino]benzenesulfonamide
CID 63759832
N-[1-(aminomethyl)-3-methylcyclohexyl]-2-fluoroaniline
CID 65376483
N-[1-(aminomethyl)-3-methylcyclopentyl]-3-chloroaniline
CID 65385077
N-[1-(aminomethyl)cyclobutyl]-4-bromoaniline
CID 79521267

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(3-bromo-4-fluorophenyl)-4-methylcycloheptan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-(3-bromo-4-fluorophenyl)-4-methylcycloheptan-1-amine (CID 104776358) is 1-(aminomethyl)-N-(3-bromo-4-fluorophenyl)-4-methylcycloheptan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-(3-bromo-4-fluorophenyl)-4-methylcycloheptan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-(3-bromo-4-fluorophenyl)-4-methylcycloheptan-1-amine is CC1CCCC(CN)(Nc2ccc(F)c(Br)c2)CC1.
What is the InChIKey of 1-(aminomethyl)-N-(3-bromo-4-fluorophenyl)-4-methylcycloheptan-1-amine?
The InChIKey is QEOXVEULAFUNQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrFN2/c1-11-3-2-7-15(10-18,8-6-11)19-12-4-5-14(17)13(16)9-12/h4-5,9,11,19H,2-3,6-8,10,18H2,1H3.
What are the key properties of 1-(aminomethyl)-N-(3-bromo-4-fluorophenyl)-4-methylcycloheptan-1-amine?
1-(aminomethyl)-N-(3-bromo-4-fluorophenyl)-4-methylcycloheptan-1-amine has a molecular weight of 329.26 g/mol, XLogP of 4.30, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(3-bromo-4-fluorophenyl)-4-methylcycloheptan-1-amine is sourced from PubChem (CID 104776358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).