4-[[(2-bromophenyl)methyl-methylamino]methyl]-2,3,3-trimethylcyclohexan-1-amine

C18H29BrN2 — CID 102627710

IUPAC4-[[(2-bromophenyl)methyl-methylamino]methyl]-2,3,3-trimethylcyclohexan-1-amine
SMILESCC1C(N)CCC(CN(C)Cc2ccccc2Br)C1(C)C
InChIInChI=1S/C18H29BrN2/c1-13-17(20)10-9-15(18(13,2)3)12-21(4)11-14-7-5-6-8-16(14)19/h5-8,13,15,17H,9-12,20H2,1-4H3
InChIKeyLCKKHWYLWRQKDY-UHFFFAOYSA-N
MW353.35 g/mol
LogP4.28
Rot. Bonds4

About 4-[[(2-bromophenyl)methyl-methylamino]methyl]-2,3,3-trimethylcyclohexan-1-amine

4-[[(2-bromophenyl)methyl-methylamino]methyl]-2,3,3-trimethylcyclohexan-1-amine (PubChem CID 102627710) has the molecular formula C18H29BrN2 and a molecular weight of 353.35 g/mol. Its IUPAC name is 4-[[(2-bromophenyl)methyl-methylamino]methyl]-2,3,3-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name4-[[(2-bromophenyl)methyl-methylamino]methyl]-2,3,3-trimethylcyclohexan-1-amine
PubChem CID102627710
Molecular FormulaC18H29BrN2
Molecular Weight353.35 g/mol
Exact Mass352.15
IUPAC Name4-[[(2-bromophenyl)methyl-methylamino]methyl]-2,3,3-trimethylcyclohexan-1-amine
SMILESCC1C(N)CCC(CN(C)Cc2ccccc2Br)C1(C)C
InChIInChI=1S/C18H29BrN2/c1-13-17(20)10-9-15(18(13,2)3)12-21(4)11-14-7-5-6-8-16(14)19/h5-8,13,15,17H,9-12,20H2,1-4H3
InChIKeyLCKKHWYLWRQKDY-UHFFFAOYSA-N
XLogP4.28
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(2-bromophenyl)methyl-methylamino]methyl]cyclohexan-1-amine
CID 62614610
4-[[(4-chlorophenyl)methyl-methylamino]methyl]-2,3,3-trimethylcyclohexan-1-amine
CID 102627706
2,3,3-trimethyl-4-[[methyl(2-phenylethyl)amino]methyl]cyclohexan-1-amine
CID 102627924
N-[(2-bromophenyl)methyl]-1-cyclopropyl-N-methylmethanamine
CID 60965915
3-[[(2-bromophenyl)methyl-methylamino]methyl]oxan-4-amine
CID 103059515
2-[[(2-bromophenyl)methyl-methylamino]methyl]cycloheptan-1-ol
CID 55094820
1-[(2-bromophenyl)methyl]-1-methylhydrazine;hydrochloride
CID 3028721
4-[[cyclohexylmethyl(methyl)amino]methyl]-2,3,3-trimethylcyclohexan-1-amine
CID 102627741
2-[[(2-bromophenyl)methyl-methylamino]methyl]-N-propylcyclopentan-1-amine
CID 62610873
N-[(2-bromophenyl)methyl]-N-methyl-1-(4-methylpiperidin-2-yl)methanamine
CID 114421302
4-(2,3-dihydroindol-1-ylmethyl)-2,3,3-trimethylcyclohexan-1-amine
CID 102627605
N-[(2-bromophenyl)methyl]-1-(2-chlorophenyl)-N-methylmethanamine
CID 60646435

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-bromophenyl)methyl-methylamino]methyl]-2,3,3-trimethylcyclohexan-1-amine?
The IUPAC name of 4-[[(2-bromophenyl)methyl-methylamino]methyl]-2,3,3-trimethylcyclohexan-1-amine (CID 102627710) is 4-[[(2-bromophenyl)methyl-methylamino]methyl]-2,3,3-trimethylcyclohexan-1-amine.
What is the SMILES notation for 4-[[(2-bromophenyl)methyl-methylamino]methyl]-2,3,3-trimethylcyclohexan-1-amine?
The canonical SMILES for 4-[[(2-bromophenyl)methyl-methylamino]methyl]-2,3,3-trimethylcyclohexan-1-amine is CC1C(N)CCC(CN(C)Cc2ccccc2Br)C1(C)C.
What is the InChIKey of 4-[[(2-bromophenyl)methyl-methylamino]methyl]-2,3,3-trimethylcyclohexan-1-amine?
The InChIKey is LCKKHWYLWRQKDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29BrN2/c1-13-17(20)10-9-15(18(13,2)3)12-21(4)11-14-7-5-6-8-16(14)19/h5-8,13,15,17H,9-12,20H2,1-4H3.
What are the key properties of 4-[[(2-bromophenyl)methyl-methylamino]methyl]-2,3,3-trimethylcyclohexan-1-amine?
4-[[(2-bromophenyl)methyl-methylamino]methyl]-2,3,3-trimethylcyclohexan-1-amine has a molecular weight of 353.35 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-bromophenyl)methyl-methylamino]methyl]-2,3,3-trimethylcyclohexan-1-amine is sourced from PubChem (CID 102627710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).