1-(4-bromophenyl)-1-(cyclohexylmethoxy)butan-2-amine

C17H26BrNO — CID 63460497

IUPAC1-(4-bromophenyl)-1-(cyclohexylmethoxy)butan-2-amine
SMILESCCC(N)C(OCC1CCCCC1)c1ccc(Br)cc1
InChIInChI=1S/C17H26BrNO/c1-2-16(19)17(14-8-10-15(18)11-9-14)20-12-13-6-4-3-5-7-13/h8-11,13,16-17H,2-7,12,19H2,1H3
InChIKeySQBJSHDRQMYXMR-UHFFFAOYSA-N
MW340.31 g/mol
LogP4.82
Rot. Bonds6

About 1-(4-bromophenyl)-1-(cyclohexylmethoxy)butan-2-amine

1-(4-bromophenyl)-1-(cyclohexylmethoxy)butan-2-amine (PubChem CID 63460497) has the molecular formula C17H26BrNO and a molecular weight of 340.31 g/mol. Its IUPAC name is 1-(4-bromophenyl)-1-(cyclohexylmethoxy)butan-2-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)-1-(cyclohexylmethoxy)butan-2-amine
PubChem CID63460497
Molecular FormulaC17H26BrNO
Molecular Weight340.31 g/mol
Exact Mass339.12
IUPAC Name1-(4-bromophenyl)-1-(cyclohexylmethoxy)butan-2-amine
SMILESCCC(N)C(OCC1CCCCC1)c1ccc(Br)cc1
InChIInChI=1S/C17H26BrNO/c1-2-16(19)17(14-8-10-15(18)11-9-14)20-12-13-6-4-3-5-7-13/h8-11,13,16-17H,2-7,12,19H2,1H3
InChIKeySQBJSHDRQMYXMR-UHFFFAOYSA-N
XLogP4.82
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(cyclohexylmethoxy)-1-(4-methylphenyl)butan-2-amine
CID 62383299
1-(4-bromophenyl)-1-(cyclohexylmethoxy)propan-2-amine
CID 62382192
1-(cyclopropylmethoxy)-1-(4-methoxyphenyl)butan-2-amine
CID 55015865
1-(4-bromophenyl)-1-cyclobutyloxybutan-2-amine
CID 62115253
1-(4-bromophenyl)-1-(2-methylpropoxy)butan-2-amine
CID 55015797
1-(4-bromophenyl)-1-(2-methoxyethoxy)butan-2-amine
CID 55015747
1-(cyclopentylmethoxy)-1-(furan-2-yl)butan-2-amine
CID 66324500
1-(cyclopentylmethoxy)-1-(3-methylthiophen-2-yl)butan-2-amine
CID 66322795
1-(oxan-4-ylmethoxy)-1-pyridin-4-ylbutan-2-amine
CID 62382206
1-bromo-4-[1-(cyclopentylmethoxy)-2-iodoethyl]benzene
CID 114774613
1-(2-cyclobutylethoxy)-1-(4-methylphenyl)butan-2-amine
CID 106200131
2-(cyclohexylmethoxy)pentan-3-amine
CID 62383892

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-1-(cyclohexylmethoxy)butan-2-amine?
The IUPAC name of 1-(4-bromophenyl)-1-(cyclohexylmethoxy)butan-2-amine (CID 63460497) is 1-(4-bromophenyl)-1-(cyclohexylmethoxy)butan-2-amine.
What is the SMILES notation for 1-(4-bromophenyl)-1-(cyclohexylmethoxy)butan-2-amine?
The canonical SMILES for 1-(4-bromophenyl)-1-(cyclohexylmethoxy)butan-2-amine is CCC(N)C(OCC1CCCCC1)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-1-(cyclohexylmethoxy)butan-2-amine?
The InChIKey is SQBJSHDRQMYXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrNO/c1-2-16(19)17(14-8-10-15(18)11-9-14)20-12-13-6-4-3-5-7-13/h8-11,13,16-17H,2-7,12,19H2,1H3.
What are the key properties of 1-(4-bromophenyl)-1-(cyclohexylmethoxy)butan-2-amine?
1-(4-bromophenyl)-1-(cyclohexylmethoxy)butan-2-amine has a molecular weight of 340.31 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-1-(cyclohexylmethoxy)butan-2-amine is sourced from PubChem (CID 63460497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).