5-[1-(4-chlorophenyl)propylamino]-2-methylpentan-1-ol

C15H24ClNO — CID 103905460

IUPAC5-[1-(4-chlorophenyl)propylamino]-2-methylpentan-1-ol
SMILESCCC(NCCCC(C)CO)c1ccc(Cl)cc1
InChIInChI=1S/C15H24ClNO/c1-3-15(13-6-8-14(16)9-7-13)17-10-4-5-12(2)11-18/h6-9,12,15,17-18H,3-5,10-11H2,1-2H3
InChIKeyKEIYKZPVSLXFAC-UHFFFAOYSA-N
MW269.82 g/mol
LogP3.79
Rot. Bonds8

About 5-[1-(4-chlorophenyl)propylamino]-2-methylpentan-1-ol

5-[1-(4-chlorophenyl)propylamino]-2-methylpentan-1-ol (PubChem CID 103905460) has the molecular formula C15H24ClNO and a molecular weight of 269.82 g/mol. Its IUPAC name is 5-[1-(4-chlorophenyl)propylamino]-2-methylpentan-1-ol.

Molecular Properties

Compound Name5-[1-(4-chlorophenyl)propylamino]-2-methylpentan-1-ol
PubChem CID103905460
Molecular FormulaC15H24ClNO
Molecular Weight269.82 g/mol
Exact Mass269.15
IUPAC Name5-[1-(4-chlorophenyl)propylamino]-2-methylpentan-1-ol
SMILESCCC(NCCCC(C)CO)c1ccc(Cl)cc1
InChIInChI=1S/C15H24ClNO/c1-3-15(13-6-8-14(16)9-7-13)17-10-4-5-12(2)11-18/h6-9,12,15,17-18H,3-5,10-11H2,1-2H3
InChIKeyKEIYKZPVSLXFAC-UHFFFAOYSA-N
XLogP3.79
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[1-(4-chlorophenyl)propylamino]pentan-2-ol
CID 107270366
N-[1-(4-chlorophenyl)propyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 106040410
1-(4-chlorophenyl)-N-(3-ethylsulfanylpropyl)propan-1-amine
CID 113246417
3-[1-(4-chlorophenyl)butylamino]-2-methylpropan-1-ol
CID 65031721
(2R)-1-[1-(4-chlorophenyl)propylamino]propan-2-ol
CID 103906772
1-(4-chlorophenyl)-N-(2-propan-2-yloxyethyl)propan-1-amine
CID 115577081
5-[(2-methoxy-1-phenylethyl)amino]-2-methylpentan-1-ol
CID 106157424
N-[1-(4-chlorophenyl)propyl]-3,3,3-trifluoropropan-1-amine
CID 55175519
3-(4-chlorophenyl)-3-(propylamino)propan-1-ol
CID 64813025
5-[1-(4-bromophenyl)propylamino]pentan-2-ol
CID 107270293
1-(4-chlorophenyl)-N-(2-prop-2-ynylsulfanylethyl)propan-1-amine
CID 113348660
3-[1-(4-chlorophenyl)propylamino]-N-propan-2-ylpropanamide
CID 112684495

Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-chlorophenyl)propylamino]-2-methylpentan-1-ol?
The IUPAC name of 5-[1-(4-chlorophenyl)propylamino]-2-methylpentan-1-ol (CID 103905460) is 5-[1-(4-chlorophenyl)propylamino]-2-methylpentan-1-ol.
What is the SMILES notation for 5-[1-(4-chlorophenyl)propylamino]-2-methylpentan-1-ol?
The canonical SMILES for 5-[1-(4-chlorophenyl)propylamino]-2-methylpentan-1-ol is CCC(NCCCC(C)CO)c1ccc(Cl)cc1.
What is the InChIKey of 5-[1-(4-chlorophenyl)propylamino]-2-methylpentan-1-ol?
The InChIKey is KEIYKZPVSLXFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO/c1-3-15(13-6-8-14(16)9-7-13)17-10-4-5-12(2)11-18/h6-9,12,15,17-18H,3-5,10-11H2,1-2H3.
What are the key properties of 5-[1-(4-chlorophenyl)propylamino]-2-methylpentan-1-ol?
5-[1-(4-chlorophenyl)propylamino]-2-methylpentan-1-ol has a molecular weight of 269.82 g/mol, XLogP of 3.79, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-chlorophenyl)propylamino]-2-methylpentan-1-ol is sourced from PubChem (CID 103905460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).