N-[[1-[(4-bromophenyl)methyl]cyclohexyl]methyl]ethanamine

C16H24BrN — CID 55195085

IUPACN-[[1-[(4-bromophenyl)methyl]cyclohexyl]methyl]ethanamine
SMILESCCNCC1(Cc2ccc(Br)cc2)CCCCC1
InChIInChI=1S/C16H24BrN/c1-2-18-13-16(10-4-3-5-11-16)12-14-6-8-15(17)9-7-14/h6-9,18H,2-5,10-13H2,1H3
InChIKeyARQQYVJSPCEEPU-UHFFFAOYSA-N
MW310.28 g/mol
LogP4.55
Rot. Bonds5

About N-[[1-[(4-bromophenyl)methyl]cyclohexyl]methyl]ethanamine

N-[[1-[(4-bromophenyl)methyl]cyclohexyl]methyl]ethanamine (PubChem CID 55195085) has the molecular formula C16H24BrN and a molecular weight of 310.28 g/mol. Its IUPAC name is N-[[1-[(4-bromophenyl)methyl]cyclohexyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[(4-bromophenyl)methyl]cyclohexyl]methyl]ethanamine
PubChem CID55195085
Molecular FormulaC16H24BrN
Molecular Weight310.28 g/mol
Exact Mass309.11
IUPAC NameN-[[1-[(4-bromophenyl)methyl]cyclohexyl]methyl]ethanamine
SMILESCCNCC1(Cc2ccc(Br)cc2)CCCCC1
InChIInChI=1S/C16H24BrN/c1-2-18-13-16(10-4-3-5-11-16)12-14-6-8-15(17)9-7-14/h6-9,18H,2-5,10-13H2,1H3
InChIKeyARQQYVJSPCEEPU-UHFFFAOYSA-N
XLogP4.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.28
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[1-[(4-methylphenyl)methyl]cyclopentyl]methyl]ethanamine
CID 62724999
1-[1-[(4-bromophenyl)methyl]cyclopentyl]-N-methylmethanamine
CID 62724385
N-[[1-[(4-bromophenyl)methyl]cyclobutyl]methyl]propan-2-amine
CID 65194612
N-[[1-[(4-iodophenyl)methyl]cyclobutyl]methyl]ethanamine
CID 65491516
N-[[1-[(3-bromo-4-fluorophenyl)methyl]cyclopentyl]methyl]ethanamine
CID 63508188
N-[[1-[(4-bromophenyl)methoxy]cyclopentyl]methyl]ethanamine
CID 82831812
N-[[1-[(5-bromothiophen-2-yl)methyl]cyclohexyl]methyl]ethanamine
CID 63507818
N-[[1-[(3,4-difluorophenyl)methyl]cyclobutyl]methyl]ethanamine
CID 82929520
1-[1-[(4-ethylphenyl)methyl]cyclohexyl]-N-methylmethanamine
CID 63507472
N-[[3-[(4-bromophenyl)methyl]oxolan-3-yl]methyl]propan-1-amine
CID 62720101
1-[(4-bromophenyl)methyl]cyclooctan-1-amine
CID 80603993
N-[[1-[(3-bromo-4-fluorophenyl)methyl]cyclohexyl]methyl]propan-1-amine
CID 63507129

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4-bromophenyl)methyl]cyclohexyl]methyl]ethanamine?
The IUPAC name of N-[[1-[(4-bromophenyl)methyl]cyclohexyl]methyl]ethanamine (CID 55195085) is N-[[1-[(4-bromophenyl)methyl]cyclohexyl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[(4-bromophenyl)methyl]cyclohexyl]methyl]ethanamine?
The canonical SMILES for N-[[1-[(4-bromophenyl)methyl]cyclohexyl]methyl]ethanamine is CCNCC1(Cc2ccc(Br)cc2)CCCCC1.
What is the InChIKey of N-[[1-[(4-bromophenyl)methyl]cyclohexyl]methyl]ethanamine?
The InChIKey is ARQQYVJSPCEEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN/c1-2-18-13-16(10-4-3-5-11-16)12-14-6-8-15(17)9-7-14/h6-9,18H,2-5,10-13H2,1H3.
What are the key properties of N-[[1-[(4-bromophenyl)methyl]cyclohexyl]methyl]ethanamine?
N-[[1-[(4-bromophenyl)methyl]cyclohexyl]methyl]ethanamine has a molecular weight of 310.28 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(4-bromophenyl)methyl]cyclohexyl]methyl]ethanamine is sourced from PubChem (CID 55195085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).