N-[[4-(aminomethyl)-2-bromophenyl]methyl]-N,4-dimethylcyclohexan-1-amine

C16H25BrN2 — CID 102768407

IUPACN-[[4-(aminomethyl)-2-bromophenyl]methyl]-N,4-dimethylcyclohexan-1-amine
SMILESCC1CCC(N(C)Cc2ccc(CN)cc2Br)CC1
InChIInChI=1S/C16H25BrN2/c1-12-3-7-15(8-4-12)19(2)11-14-6-5-13(10-18)9-16(14)17/h5-6,9,12,15H,3-4,7-8,10-11,18H2,1-2H3
InChIKeyUCKABCUQDNECRO-UHFFFAOYSA-N
MW325.29 g/mol
LogP3.92
Rot. Bonds4

About N-[[4-(aminomethyl)-2-bromophenyl]methyl]-N,4-dimethylcyclohexan-1-amine

N-[[4-(aminomethyl)-2-bromophenyl]methyl]-N,4-dimethylcyclohexan-1-amine (PubChem CID 102768407) has the molecular formula C16H25BrN2 and a molecular weight of 325.29 g/mol. Its IUPAC name is N-[[4-(aminomethyl)-2-bromophenyl]methyl]-N,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[[4-(aminomethyl)-2-bromophenyl]methyl]-N,4-dimethylcyclohexan-1-amine
PubChem CID102768407
Molecular FormulaC16H25BrN2
Molecular Weight325.29 g/mol
Exact Mass324.12
IUPAC NameN-[[4-(aminomethyl)-2-bromophenyl]methyl]-N,4-dimethylcyclohexan-1-amine
SMILESCC1CCC(N(C)Cc2ccc(CN)cc2Br)CC1
InChIInChI=1S/C16H25BrN2/c1-12-3-7-15(8-4-12)19(2)11-14-6-5-13(10-18)9-16(14)17/h5-6,9,12,15H,3-4,7-8,10-11,18H2,1-2H3
InChIKeyUCKABCUQDNECRO-UHFFFAOYSA-N
XLogP3.92
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[4-(aminomethyl)-2-bromophenyl]methyl]-N,4-dimethylcyclohexan-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-(3-bromobenzyl)-1-(2-phenylethyl)-4-piperidinamine
CID 6456385
N-(3-Bromobenzyl)-1-(2-(methylamino)ethyl)piperidin-4-amine
CID 137635057
N-[(3-bromophenyl)methyl]-N-(2-phenylethyl)piperidin-4-amine
CID 166634581
1-[[2-Bromo-4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane
CID 460347
(2-Aminoethyl)((3-bromophenyl)methyl)ethylamine
CID 66568274
N-(2-bromobenzyl)propan-2-amine
CID 11988160
N1-(3-Bromobenzyl)-N3-(tert-butyl)propane-1,3-diamine (8)
CID 91970638
N-[(2-bromophenyl)methyl]-N-(2-phenylethyl)piperidin-4-amine
CID 166626465
N,N-bis[(2-bromophenyl)methyl]-2-methylpropan-2-amine
CID 90670860
N,N-bis[(2-bromophenyl)methyl]cyclohexanamine
CID 90670861
1-(3-Bromobenzyl)-4-isopropylpiperazine
CID 877644
Cambridge id 5458751
CID 784276

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)-2-bromophenyl]methyl]-N,4-dimethylcyclohexan-1-amine?
The IUPAC name of N-[[4-(aminomethyl)-2-bromophenyl]methyl]-N,4-dimethylcyclohexan-1-amine (CID 102768407) is N-[[4-(aminomethyl)-2-bromophenyl]methyl]-N,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[[4-(aminomethyl)-2-bromophenyl]methyl]-N,4-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[[4-(aminomethyl)-2-bromophenyl]methyl]-N,4-dimethylcyclohexan-1-amine is CC1CCC(N(C)Cc2ccc(CN)cc2Br)CC1.
What is the InChIKey of N-[[4-(aminomethyl)-2-bromophenyl]methyl]-N,4-dimethylcyclohexan-1-amine?
The InChIKey is UCKABCUQDNECRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2/c1-12-3-7-15(8-4-12)19(2)11-14-6-5-13(10-18)9-16(14)17/h5-6,9,12,15H,3-4,7-8,10-11,18H2,1-2H3.
What are the key properties of N-[[4-(aminomethyl)-2-bromophenyl]methyl]-N,4-dimethylcyclohexan-1-amine?
N-[[4-(aminomethyl)-2-bromophenyl]methyl]-N,4-dimethylcyclohexan-1-amine has a molecular weight of 325.29 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)-2-bromophenyl]methyl]-N,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 102768407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).