6-bromo-N-[(3-methylcyclohexyl)methyl]naphthalen-2-amine

C18H22BrN — CID 81260489

IUPAC6-bromo-N-[(3-methylcyclohexyl)methyl]naphthalen-2-amine
SMILESCC1CCCC(CNc2ccc3cc(Br)ccc3c2)C1
InChIInChI=1S/C18H22BrN/c1-13-3-2-4-14(9-13)12-20-18-8-6-15-10-17(19)7-5-16(15)11-18/h5-8,10-11,13-14,20H,2-4,9,12H2,1H3
InChIKeyDEWFCRACKAHBPA-UHFFFAOYSA-N
MW332.29 g/mol
LogP5.84
Rot. Bonds3

About 6-bromo-N-[(3-methylcyclohexyl)methyl]naphthalen-2-amine

6-bromo-N-[(3-methylcyclohexyl)methyl]naphthalen-2-amine (PubChem CID 81260489) has the molecular formula C18H22BrN and a molecular weight of 332.29 g/mol. Its IUPAC name is 6-bromo-N-[(3-methylcyclohexyl)methyl]naphthalen-2-amine.

Molecular Properties

Compound Name6-bromo-N-[(3-methylcyclohexyl)methyl]naphthalen-2-amine
PubChem CID81260489
Molecular FormulaC18H22BrN
Molecular Weight332.29 g/mol
Exact Mass331.09
IUPAC Name6-bromo-N-[(3-methylcyclohexyl)methyl]naphthalen-2-amine
SMILESCC1CCCC(CNc2ccc3cc(Br)ccc3c2)C1
InChIInChI=1S/C18H22BrN/c1-13-3-2-4-14(9-13)12-20-18-8-6-15-10-17(19)7-5-16(15)11-18/h5-8,10-11,13-14,20H,2-4,9,12H2,1H3
InChIKeyDEWFCRACKAHBPA-UHFFFAOYSA-N
XLogP5.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.29
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-bromo-N-[(1-methylpiperidin-3-yl)methyl]naphthalen-2-amine
CID 81260551
3-[(naphthalen-2-ylamino)methyl]cyclohexan-1-ol
CID 106136822
(1S)-1-(4-bromophenyl)-N-[(3-methylcyclohexyl)methyl]ethanamine
CID 81359380
2-chloro-4-[(3-methylcyclohexyl)methylamino]benzoic acid
CID 114131828
6-bromo-N-cyclobutylnaphthalen-2-amine
CID 81260482
6-bromo-N-(2,3-dimethylcyclohexyl)naphthalen-2-amine
CID 81260243
(1S)-1-(3-bromophenyl)-N-[(3-methylcyclohexyl)methyl]ethanamine
CID 81382312
N-(cyclobutylmethyl)-3-methylaniline
CID 65459852
5-bromo-N-[(3-methylcyclopentyl)methyl]-2-(trifluoromethyl)aniline
CID 107414090
2-[(6-bromonaphthalen-2-yl)amino]cyclopentan-1-ol
CID 81259521
3-N-(6-bromonaphthalen-2-yl)cyclopentane-1,3-diamine
CID 81260171
N-(6-bromonaphthalen-2-yl)-2-cyclopropylacetamide
CID 81004000

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[(3-methylcyclohexyl)methyl]naphthalen-2-amine?
The IUPAC name of 6-bromo-N-[(3-methylcyclohexyl)methyl]naphthalen-2-amine (CID 81260489) is 6-bromo-N-[(3-methylcyclohexyl)methyl]naphthalen-2-amine.
What is the SMILES notation for 6-bromo-N-[(3-methylcyclohexyl)methyl]naphthalen-2-amine?
The canonical SMILES for 6-bromo-N-[(3-methylcyclohexyl)methyl]naphthalen-2-amine is CC1CCCC(CNc2ccc3cc(Br)ccc3c2)C1.
What is the InChIKey of 6-bromo-N-[(3-methylcyclohexyl)methyl]naphthalen-2-amine?
The InChIKey is DEWFCRACKAHBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrN/c1-13-3-2-4-14(9-13)12-20-18-8-6-15-10-17(19)7-5-16(15)11-18/h5-8,10-11,13-14,20H,2-4,9,12H2,1H3.
What are the key properties of 6-bromo-N-[(3-methylcyclohexyl)methyl]naphthalen-2-amine?
6-bromo-N-[(3-methylcyclohexyl)methyl]naphthalen-2-amine has a molecular weight of 332.29 g/mol, XLogP of 5.84, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[(3-methylcyclohexyl)methyl]naphthalen-2-amine is sourced from PubChem (CID 81260489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).