1-(4-chlorophenyl)-N-(oxan-2-ylmethyl)butan-1-amine

C16H24ClNO — CID 55014326

IUPAC1-(4-chlorophenyl)-N-(oxan-2-ylmethyl)butan-1-amine
SMILESCCCC(NCC1CCCCO1)c1ccc(Cl)cc1
InChIInChI=1S/C16H24ClNO/c1-2-5-16(13-7-9-14(17)10-8-13)18-12-15-6-3-4-11-19-15/h7-10,15-16,18H,2-6,11-12H2,1H3
InChIKeyPYQMGWYNMCVZEA-UHFFFAOYSA-N
MW281.83 g/mol
LogP4.34
Rot. Bonds6

About 1-(4-chlorophenyl)-N-(oxan-2-ylmethyl)butan-1-amine

1-(4-chlorophenyl)-N-(oxan-2-ylmethyl)butan-1-amine (PubChem CID 55014326) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(oxan-2-ylmethyl)butan-1-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(oxan-2-ylmethyl)butan-1-amine
PubChem CID55014326
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC Name1-(4-chlorophenyl)-N-(oxan-2-ylmethyl)butan-1-amine
SMILESCCCC(NCC1CCCCO1)c1ccc(Cl)cc1
InChIInChI=1S/C16H24ClNO/c1-2-5-16(13-7-9-14(17)10-8-13)18-12-15-6-3-4-11-19-15/h7-10,15-16,18H,2-6,11-12H2,1H3
InChIKeyPYQMGWYNMCVZEA-UHFFFAOYSA-N
XLogP4.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine
CID 65156023
1-(4-ethylphenyl)-N-(oxan-2-ylmethyl)propan-1-amine
CID 55013993
1-(4-chlorophenyl)-N-[(4-ethylcyclohexyl)methyl]butan-1-amine
CID 63451823
1-(4-chlorophenyl)-N-[(1-methylpiperidin-2-yl)methyl]butan-1-amine
CID 63456110
1-(4-chlorophenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]butan-1-amine
CID 60857570
2-(oxolan-2-ylmethylamino)-2-(4-propan-2-ylphenyl)ethanol
CID 61050569
1-(4-ethylphenyl)-N-(oxolan-2-ylmethyl)propan-1-amine
CID 43309993
1-(4-chlorophenyl)-2-(oxan-2-ylmethylamino)ethanol
CID 55014099
1-[1-(4-chlorophenyl)propyl]-3-(oxolan-2-ylmethyl)urea
CID 17182016
(1R)-1-(3,4-difluorophenyl)-2-methoxy-N-[[(2S)-oxan-2-yl]methyl]ethanamine
CID 97333998
1-(4-chlorophenyl)-N-(thiolan-3-ylmethyl)butan-1-amine
CID 107166601
(1R)-1-(3-chlorophenyl)-N-(oxan-2-ylmethyl)ethanamine
CID 81372258

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(oxan-2-ylmethyl)butan-1-amine?
The IUPAC name of 1-(4-chlorophenyl)-N-(oxan-2-ylmethyl)butan-1-amine (CID 55014326) is 1-(4-chlorophenyl)-N-(oxan-2-ylmethyl)butan-1-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(oxan-2-ylmethyl)butan-1-amine?
The canonical SMILES for 1-(4-chlorophenyl)-N-(oxan-2-ylmethyl)butan-1-amine is CCCC(NCC1CCCCO1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(oxan-2-ylmethyl)butan-1-amine?
The InChIKey is PYQMGWYNMCVZEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO/c1-2-5-16(13-7-9-14(17)10-8-13)18-12-15-6-3-4-11-19-15/h7-10,15-16,18H,2-6,11-12H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-N-(oxan-2-ylmethyl)butan-1-amine?
1-(4-chlorophenyl)-N-(oxan-2-ylmethyl)butan-1-amine has a molecular weight of 281.83 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(oxan-2-ylmethyl)butan-1-amine is sourced from PubChem (CID 55014326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).