1-(3-chlorophenyl)-3-[methyl(pentyl)amino]propan-1-ol

C15H24ClNO — CID 55098657

IUPAC1-(3-chlorophenyl)-3-[methyl(pentyl)amino]propan-1-ol
SMILESCCCCCN(C)CCC(O)c1cccc(Cl)c1
InChIInChI=1S/C15H24ClNO/c1-3-4-5-10-17(2)11-9-15(18)13-7-6-8-14(16)12-13/h6-8,12,15,18H,3-5,9-11H2,1-2H3
InChIKeyUUWCAYASWQLLLJ-UHFFFAOYSA-N
MW269.82 g/mol
LogP3.89
Rot. Bonds8

About 1-(3-chlorophenyl)-3-[methyl(pentyl)amino]propan-1-ol

1-(3-chlorophenyl)-3-[methyl(pentyl)amino]propan-1-ol (PubChem CID 55098657) has the molecular formula C15H24ClNO and a molecular weight of 269.82 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[methyl(pentyl)amino]propan-1-ol.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[methyl(pentyl)amino]propan-1-ol
PubChem CID55098657
Molecular FormulaC15H24ClNO
Molecular Weight269.82 g/mol
Exact Mass269.15
IUPAC Name1-(3-chlorophenyl)-3-[methyl(pentyl)amino]propan-1-ol
SMILESCCCCCN(C)CCC(O)c1cccc(Cl)c1
InChIInChI=1S/C15H24ClNO/c1-3-4-5-10-17(2)11-9-15(18)13-7-6-8-14(16)12-13/h6-8,12,15,18H,3-5,9-11H2,1-2H3
InChIKeyUUWCAYASWQLLLJ-UHFFFAOYSA-N
XLogP3.89
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[methyl(pentyl)amino]-1-(3-methylphenyl)propan-1-ol
CID 62624007
1-(3-chlorophenyl)-3-[2,2-dimethylpropyl(methyl)amino]propan-1-ol
CID 55098610
4-[benzyl(methyl)amino]-1-(3-chlorophenyl)butan-1-ol
CID 91535520
1-(3-chlorophenyl)-3-[methyl-[(2-methylphenyl)methyl]amino]propan-1-ol
CID 62623300
1-(3-chlorophenyl)-3-[cyclopentylmethyl(methyl)amino]propan-1-ol
CID 63655492
3-[(2-bromophenyl)methyl-methylamino]-1-(3-chlorophenyl)propan-1-ol
CID 62624570
1-(3-chlorophenyl)-3-(N,3,5-trimethylanilino)propan-1-ol
CID 63487553
1-(3-chlorophenyl)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-1-ol
CID 62623656
3-[(3-chlorophenyl)methyl-methylamino]-1-(3-fluorophenyl)propan-1-ol
CID 62629130
1-(3-chlorophenyl)-3-[methyl(oxan-4-ylmethyl)amino]propan-1-ol
CID 63713720
1-(3-chlorophenyl)-N,N'-dimethyl-N'-propylpropane-1,3-diamine
CID 55098697
1-(3-chlorophenyl)-3-[cyclopropyl(3-methylbutyl)amino]propan-1-ol
CID 78991345

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[methyl(pentyl)amino]propan-1-ol?
The IUPAC name of 1-(3-chlorophenyl)-3-[methyl(pentyl)amino]propan-1-ol (CID 55098657) is 1-(3-chlorophenyl)-3-[methyl(pentyl)amino]propan-1-ol.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[methyl(pentyl)amino]propan-1-ol?
The canonical SMILES for 1-(3-chlorophenyl)-3-[methyl(pentyl)amino]propan-1-ol is CCCCCN(C)CCC(O)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[methyl(pentyl)amino]propan-1-ol?
The InChIKey is UUWCAYASWQLLLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO/c1-3-4-5-10-17(2)11-9-15(18)13-7-6-8-14(16)12-13/h6-8,12,15,18H,3-5,9-11H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-3-[methyl(pentyl)amino]propan-1-ol?
1-(3-chlorophenyl)-3-[methyl(pentyl)amino]propan-1-ol has a molecular weight of 269.82 g/mol, XLogP of 3.89, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[methyl(pentyl)amino]propan-1-ol is sourced from PubChem (CID 55098657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).