3-[1-(4-chlorophenyl)butylamino]-4-methylpentan-1-ol

C16H26ClNO — CID 106348706

IUPAC3-[1-(4-chlorophenyl)butylamino]-4-methylpentan-1-ol
SMILESCCCC(NC(CCO)C(C)C)c1ccc(Cl)cc1
InChIInChI=1S/C16H26ClNO/c1-4-5-16(13-6-8-14(17)9-7-13)18-15(10-11-19)12(2)3/h6-9,12,15-16,18-19H,4-5,10-11H2,1-3H3
InChIKeyBCCPSEMRACPBHY-UHFFFAOYSA-N
MW283.84 g/mol
LogP4.18
Rot. Bonds8

About 3-[1-(4-chlorophenyl)butylamino]-4-methylpentan-1-ol

3-[1-(4-chlorophenyl)butylamino]-4-methylpentan-1-ol (PubChem CID 106348706) has the molecular formula C16H26ClNO and a molecular weight of 283.84 g/mol. Its IUPAC name is 3-[1-(4-chlorophenyl)butylamino]-4-methylpentan-1-ol.

Molecular Properties

Compound Name3-[1-(4-chlorophenyl)butylamino]-4-methylpentan-1-ol
PubChem CID106348706
Molecular FormulaC16H26ClNO
Molecular Weight283.84 g/mol
Exact Mass283.17
IUPAC Name3-[1-(4-chlorophenyl)butylamino]-4-methylpentan-1-ol
SMILESCCCC(NC(CCO)C(C)C)c1ccc(Cl)cc1
InChIInChI=1S/C16H26ClNO/c1-4-5-16(13-6-8-14(17)9-7-13)18-15(10-11-19)12(2)3/h6-9,12,15-16,18-19H,4-5,10-11H2,1-3H3
InChIKeyBCCPSEMRACPBHY-UHFFFAOYSA-N
XLogP4.18
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.84
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-N-[1-(4-chlorophenyl)ethyl]butan-1-amine
CID 43106646
(2R)-2-[1-(4-chlorophenyl)butylamino]butan-1-ol
CID 113352309
2-[1-(4-chlorophenyl)butylamino]propanamide
CID 43545331
1-(4-chlorophenyl)-N-[(1S)-1-phenylethyl]butan-1-amine
CID 81351382
3-(4-chlorophenyl)-3-(propylamino)propan-1-ol
CID 64813025
3-[1-(4-chlorophenyl)butylamino]-2-methylpropan-1-ol
CID 65031721
1-(4-chlorophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]butan-1-amine
CID 81351612
1-(4-chlorophenyl)-N-[(1S)-1-cyclopentylethyl]butan-1-amine
CID 81386564
1-(4-chlorophenyl)-N-[(1R)-1-thiophen-2-ylethyl]butan-1-amine
CID 81398782
(2R)-2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-3-methylbutan-1-ol
CID 124511733
3-[1-(3,4-difluorophenyl)ethylamino]-4-methylpentan-1-ol
CID 103717148
2-[1-(4-chlorophenyl)ethylamino]-3-methylbutan-1-ol;hydrochloride
CID 122360330

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-chlorophenyl)butylamino]-4-methylpentan-1-ol?
The IUPAC name of 3-[1-(4-chlorophenyl)butylamino]-4-methylpentan-1-ol (CID 106348706) is 3-[1-(4-chlorophenyl)butylamino]-4-methylpentan-1-ol.
What is the SMILES notation for 3-[1-(4-chlorophenyl)butylamino]-4-methylpentan-1-ol?
The canonical SMILES for 3-[1-(4-chlorophenyl)butylamino]-4-methylpentan-1-ol is CCCC(NC(CCO)C(C)C)c1ccc(Cl)cc1.
What is the InChIKey of 3-[1-(4-chlorophenyl)butylamino]-4-methylpentan-1-ol?
The InChIKey is BCCPSEMRACPBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClNO/c1-4-5-16(13-6-8-14(17)9-7-13)18-15(10-11-19)12(2)3/h6-9,12,15-16,18-19H,4-5,10-11H2,1-3H3.
What are the key properties of 3-[1-(4-chlorophenyl)butylamino]-4-methylpentan-1-ol?
3-[1-(4-chlorophenyl)butylamino]-4-methylpentan-1-ol has a molecular weight of 283.84 g/mol, XLogP of 4.18, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-chlorophenyl)butylamino]-4-methylpentan-1-ol is sourced from PubChem (CID 106348706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).