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

C16H24BrNO — CID 62382192

IUPAC1-(4-bromophenyl)-1-(cyclohexylmethoxy)propan-2-amine
SMILESCC(N)C(OCC1CCCCC1)c1ccc(Br)cc1
InChIInChI=1S/C16H24BrNO/c1-12(18)16(14-7-9-15(17)10-8-14)19-11-13-5-3-2-4-6-13/h7-10,12-13,16H,2-6,11,18H2,1H3
InChIKeyGWVPVMZSPZQHMQ-UHFFFAOYSA-N
MW326.28 g/mol
LogP4.43
Rot. Bonds5

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

1-(4-bromophenyl)-1-(cyclohexylmethoxy)propan-2-amine (PubChem CID 62382192) has the molecular formula C16H24BrNO and a molecular weight of 326.28 g/mol. Its IUPAC name is 1-(4-bromophenyl)-1-(cyclohexylmethoxy)propan-2-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)-1-(cyclohexylmethoxy)propan-2-amine
PubChem CID62382192
Molecular FormulaC16H24BrNO
Molecular Weight326.28 g/mol
Exact Mass325.10
IUPAC Name1-(4-bromophenyl)-1-(cyclohexylmethoxy)propan-2-amine
SMILESCC(N)C(OCC1CCCCC1)c1ccc(Br)cc1
InChIInChI=1S/C16H24BrNO/c1-12(18)16(14-7-9-15(17)10-8-14)19-11-13-5-3-2-4-6-13/h7-10,12-13,16H,2-6,11,18H2,1H3
InChIKeyGWVPVMZSPZQHMQ-UHFFFAOYSA-N
XLogP4.43
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(cyclohexylmethoxy)-1-(4-methylphenyl)butan-2-amine
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CID 62384395
1-(cyclohexylmethoxy)-1-(2-fluorophenyl)propan-2-amine
CID 62383305
1-(2-chlorophenyl)-1-(cyclohexylmethoxy)propan-2-amine
CID 55066579
4-[1-(cyclohexylmethoxy)ethyl]aniline
CID 57106208
(1S)-1-(4-bromophenyl)-N-(cyclopentylmethyl)ethanamine
CID 81355288
N-[2-(4-bromophenyl)-2-(cyclopentylmethoxy)ethyl]-2-methylpropan-2-amine
CID 66322694
1-(4-bromophenyl)-1-(2-methylpentoxy)propan-2-amine
CID 103283082

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-1-(cyclohexylmethoxy)propan-2-amine?
The IUPAC name of 1-(4-bromophenyl)-1-(cyclohexylmethoxy)propan-2-amine (CID 62382192) is 1-(4-bromophenyl)-1-(cyclohexylmethoxy)propan-2-amine.
What is the SMILES notation for 1-(4-bromophenyl)-1-(cyclohexylmethoxy)propan-2-amine?
The canonical SMILES for 1-(4-bromophenyl)-1-(cyclohexylmethoxy)propan-2-amine is CC(N)C(OCC1CCCCC1)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-1-(cyclohexylmethoxy)propan-2-amine?
The InChIKey is GWVPVMZSPZQHMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO/c1-12(18)16(14-7-9-15(17)10-8-14)19-11-13-5-3-2-4-6-13/h7-10,12-13,16H,2-6,11,18H2,1H3.
What are the key properties of 1-(4-bromophenyl)-1-(cyclohexylmethoxy)propan-2-amine?
1-(4-bromophenyl)-1-(cyclohexylmethoxy)propan-2-amine has a molecular weight of 326.28 g/mol, XLogP of 4.43, 5 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)propan-2-amine is sourced from PubChem (CID 62382192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).