2-[[(4-bromophenyl)methyl-methylamino]methyl]-N-methylcyclohexan-1-amine

C16H25BrN2 — CID 62614973

IUPAC2-[[(4-bromophenyl)methyl-methylamino]methyl]-N-methylcyclohexan-1-amine
SMILESCNC1CCCCC1CN(C)Cc1ccc(Br)cc1
InChIInChI=1S/C16H25BrN2/c1-18-16-6-4-3-5-14(16)12-19(2)11-13-7-9-15(17)10-8-13/h7-10,14,16,18H,3-6,11-12H2,1-2H3
InChIKeyYHXUZUVLXIKCSU-UHFFFAOYSA-N
MW325.29 g/mol
LogP3.66
Rot. Bonds5

About 2-[[(4-bromophenyl)methyl-methylamino]methyl]-N-methylcyclohexan-1-amine

2-[[(4-bromophenyl)methyl-methylamino]methyl]-N-methylcyclohexan-1-amine (PubChem CID 62614973) has the molecular formula C16H25BrN2 and a molecular weight of 325.29 g/mol. Its IUPAC name is 2-[[(4-bromophenyl)methyl-methylamino]methyl]-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[[(4-bromophenyl)methyl-methylamino]methyl]-N-methylcyclohexan-1-amine
PubChem CID62614973
Molecular FormulaC16H25BrN2
Molecular Weight325.29 g/mol
Exact Mass324.12
IUPAC Name2-[[(4-bromophenyl)methyl-methylamino]methyl]-N-methylcyclohexan-1-amine
SMILESCNC1CCCCC1CN(C)Cc1ccc(Br)cc1
InChIInChI=1S/C16H25BrN2/c1-18-16-6-4-3-5-14(16)12-19(2)11-13-7-9-15(17)10-8-13/h7-10,14,16,18H,3-6,11-12H2,1-2H3
InChIKeyYHXUZUVLXIKCSU-UHFFFAOYSA-N
XLogP3.66
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-2-[[methyl-[(4-methylphenyl)methyl]amino]methyl]cyclopentan-1-amine
CID 55093693
2-[[(4-bromophenyl)methyl-methylamino]methyl]cyclopentan-1-ol
CID 55094675
N-methyl-2-[[methyl-[(3-methylphenyl)methyl]amino]methyl]cyclopentan-1-amine
CID 62610042
N-methyl-2-[[methyl(thiophen-2-ylmethyl)amino]methyl]cyclohexan-1-amine
CID 62616177
N-[(4-bromophenyl)methyl]-N-methyl-1-(2-methylpyrrolidin-3-yl)methanamine
CID 79385037
2-[[(4-chlorophenyl)methyl-methylamino]methyl]-N-ethylcyclopentan-1-amine
CID 62610200
2-[[(4-bromophenyl)methyl-methylamino]methyl]cycloheptan-1-one
CID 55094311
2-[[benzyl(ethyl)amino]methyl]-N-methylcyclopentan-1-amine
CID 62614486
N-ethyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]cycloheptan-1-amine
CID 62615411
2-[[(3-bromophenyl)methyl-methylamino]methyl]-N-propylcyclopentan-1-amine
CID 62609650
N-[(4-bromophenyl)methyl]-N-methyl-1-piperidin-4-ylmethanamine;hydrochloride
CID 119929518
2-[(4-bromophenyl)methyl-methylamino]-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 8709638

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-bromophenyl)methyl-methylamino]methyl]-N-methylcyclohexan-1-amine?
The IUPAC name of 2-[[(4-bromophenyl)methyl-methylamino]methyl]-N-methylcyclohexan-1-amine (CID 62614973) is 2-[[(4-bromophenyl)methyl-methylamino]methyl]-N-methylcyclohexan-1-amine.
What is the SMILES notation for 2-[[(4-bromophenyl)methyl-methylamino]methyl]-N-methylcyclohexan-1-amine?
The canonical SMILES for 2-[[(4-bromophenyl)methyl-methylamino]methyl]-N-methylcyclohexan-1-amine is CNC1CCCCC1CN(C)Cc1ccc(Br)cc1.
What is the InChIKey of 2-[[(4-bromophenyl)methyl-methylamino]methyl]-N-methylcyclohexan-1-amine?
The InChIKey is YHXUZUVLXIKCSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2/c1-18-16-6-4-3-5-14(16)12-19(2)11-13-7-9-15(17)10-8-13/h7-10,14,16,18H,3-6,11-12H2,1-2H3.
What are the key properties of 2-[[(4-bromophenyl)methyl-methylamino]methyl]-N-methylcyclohexan-1-amine?
2-[[(4-bromophenyl)methyl-methylamino]methyl]-N-methylcyclohexan-1-amine has a molecular weight of 325.29 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-bromophenyl)methyl-methylamino]methyl]-N-methylcyclohexan-1-amine is sourced from PubChem (CID 62614973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).