N-[[2-[(3-bromophenyl)methyl]-4-methylcyclohexyl]methyl]ethanamine

C17H26BrN — CID 81031502

IUPACN-[[2-[(3-bromophenyl)methyl]-4-methylcyclohexyl]methyl]ethanamine
SMILESCCNCC1CCC(C)CC1Cc1cccc(Br)c1
InChIInChI=1S/C17H26BrN/c1-3-19-12-15-8-7-13(2)9-16(15)10-14-5-4-6-17(18)11-14/h4-6,11,13,15-16,19H,3,7-10,12H2,1-2H3
InChIKeyLHDNHGJIEXNCOM-UHFFFAOYSA-N
MW324.31 g/mol
LogP4.65
Rot. Bonds5

About N-[[2-[(3-bromophenyl)methyl]-4-methylcyclohexyl]methyl]ethanamine

N-[[2-[(3-bromophenyl)methyl]-4-methylcyclohexyl]methyl]ethanamine (PubChem CID 81031502) has the molecular formula C17H26BrN and a molecular weight of 324.31 g/mol. Its IUPAC name is N-[[2-[(3-bromophenyl)methyl]-4-methylcyclohexyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-[(3-bromophenyl)methyl]-4-methylcyclohexyl]methyl]ethanamine
PubChem CID81031502
Molecular FormulaC17H26BrN
Molecular Weight324.31 g/mol
Exact Mass323.12
IUPAC NameN-[[2-[(3-bromophenyl)methyl]-4-methylcyclohexyl]methyl]ethanamine
SMILESCCNCC1CCC(C)CC1Cc1cccc(Br)c1
InChIInChI=1S/C17H26BrN/c1-3-19-12-15-8-7-13(2)9-16(15)10-14-5-4-6-17(18)11-14/h4-6,11,13,15-16,19H,3,7-10,12H2,1-2H3
InChIKeyLHDNHGJIEXNCOM-UHFFFAOYSA-N
XLogP4.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.31
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[2-[(3-bromophenyl)methyl]-4-methylcyclohexyl]methyl]-2-methylpropan-2-amine
CID 81035109
[2-[(3-bromophenyl)methyl]-4-methylcyclohexyl]methanamine
CID 81009868
N-[[2-[(4-iodophenyl)methyl]-4-methylcyclohexyl]methyl]ethanamine
CID 81031877
N-[[2-[(4-bromothiophen-2-yl)methyl]-4-methylcyclohexyl]methyl]ethanamine
CID 81032336
N-[[2-[(3-chloro-4-fluorophenyl)methyl]-4-methylcyclohexyl]methyl]ethanamine
CID 103042349
N-[[2-[(5-bromo-3-pyridinyl)methyl]-4-methylcyclohexyl]methyl]propan-1-amine
CID 104813926
N-[[2-[(3-chlorophenyl)methyl]-4-ethylcyclohexyl]methyl]ethanamine
CID 81029934
3-[(3-bromophenyl)methyl]-2-methyl-N-propylcyclopentan-1-amine
CID 64907274
N-[[4-methyl-2-(pyridin-3-ylmethyl)cyclohexyl]methyl]propan-1-amine
CID 104737396
1-bromo-3-[(3-chloro-2-methylcyclopentyl)methyl]benzene
CID 64910118
N-[(2-benzylcyclopropyl)methyl]ethanamine
CID 62703862
[4-methyl-2-[(3-methylphenyl)methyl]cyclohexyl]methanamine
CID 81010967

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(3-bromophenyl)methyl]-4-methylcyclohexyl]methyl]ethanamine?
The IUPAC name of N-[[2-[(3-bromophenyl)methyl]-4-methylcyclohexyl]methyl]ethanamine (CID 81031502) is N-[[2-[(3-bromophenyl)methyl]-4-methylcyclohexyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-[(3-bromophenyl)methyl]-4-methylcyclohexyl]methyl]ethanamine?
The canonical SMILES for N-[[2-[(3-bromophenyl)methyl]-4-methylcyclohexyl]methyl]ethanamine is CCNCC1CCC(C)CC1Cc1cccc(Br)c1.
What is the InChIKey of N-[[2-[(3-bromophenyl)methyl]-4-methylcyclohexyl]methyl]ethanamine?
The InChIKey is LHDNHGJIEXNCOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrN/c1-3-19-12-15-8-7-13(2)9-16(15)10-14-5-4-6-17(18)11-14/h4-6,11,13,15-16,19H,3,7-10,12H2,1-2H3.
What are the key properties of N-[[2-[(3-bromophenyl)methyl]-4-methylcyclohexyl]methyl]ethanamine?
N-[[2-[(3-bromophenyl)methyl]-4-methylcyclohexyl]methyl]ethanamine has a molecular weight of 324.31 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(3-bromophenyl)methyl]-4-methylcyclohexyl]methyl]ethanamine is sourced from PubChem (CID 81031502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).