1-[1-(3-chlorophenyl)propylamino]-3-methylbutan-2-ol

C14H22ClNO — CID 115668066

IUPAC1-[1-(3-chlorophenyl)propylamino]-3-methylbutan-2-ol
SMILESCCC(NCC(O)C(C)C)c1cccc(Cl)c1
InChIInChI=1S/C14H22ClNO/c1-4-13(16-9-14(17)10(2)3)11-6-5-7-12(15)8-11/h5-8,10,13-14,16-17H,4,9H2,1-3H3
InChIKeyRIBVAUGWSYFWNY-UHFFFAOYSA-N
MW255.79 g/mol
LogP3.40
Rot. Bonds6

About 1-[1-(3-chlorophenyl)propylamino]-3-methylbutan-2-ol

1-[1-(3-chlorophenyl)propylamino]-3-methylbutan-2-ol (PubChem CID 115668066) has the molecular formula C14H22ClNO and a molecular weight of 255.79 g/mol. Its IUPAC name is 1-[1-(3-chlorophenyl)propylamino]-3-methylbutan-2-ol.

Molecular Properties

Compound Name1-[1-(3-chlorophenyl)propylamino]-3-methylbutan-2-ol
PubChem CID115668066
Molecular FormulaC14H22ClNO
Molecular Weight255.79 g/mol
Exact Mass255.14
IUPAC Name1-[1-(3-chlorophenyl)propylamino]-3-methylbutan-2-ol
SMILESCCC(NCC(O)C(C)C)c1cccc(Cl)c1
InChIInChI=1S/C14H22ClNO/c1-4-13(16-9-14(17)10(2)3)11-6-5-7-12(15)8-11/h5-8,10,13-14,16-17H,4,9H2,1-3H3
InChIKeyRIBVAUGWSYFWNY-UHFFFAOYSA-N
XLogP3.40
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(3-chlorophenyl)propylamino]-2-methylpropan-1-ol
CID 65031717
1-(3-chlorophenyl)-N-(2-phenylpropyl)propan-1-amine
CID 43096371
N-[1-(3-chlorophenyl)propyl]but-2-yn-1-amine
CID 115896884
N-[1-(3-chlorophenyl)propyl]-3-methylbutan-2-amine
CID 43131327
1-[1-(3-chlorophenyl)propylamino]pentan-3-ol
CID 113262773
N-[1-(3-chlorophenyl)propyl]-3-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 43104352
(2S)-2-[1-(3-chlorophenyl)propylamino]-3-methylbutan-1-ol
CID 79254830
N-[1-(3-chlorophenyl)propyl]-2-methylpentan-3-amine
CID 43779182
1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]propan-1-amine
CID 43103044
[4-[[1-(3-chlorophenyl)propylamino]methyl]phenyl]methanol
CID 103947369
N-[1-(3-chlorophenyl)propyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 43098153
1-(3-chlorophenyl)-N-[(1-ethylcyclobutyl)methyl]propan-1-amine
CID 114107361

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-chlorophenyl)propylamino]-3-methylbutan-2-ol?
The IUPAC name of 1-[1-(3-chlorophenyl)propylamino]-3-methylbutan-2-ol (CID 115668066) is 1-[1-(3-chlorophenyl)propylamino]-3-methylbutan-2-ol.
What is the SMILES notation for 1-[1-(3-chlorophenyl)propylamino]-3-methylbutan-2-ol?
The canonical SMILES for 1-[1-(3-chlorophenyl)propylamino]-3-methylbutan-2-ol is CCC(NCC(O)C(C)C)c1cccc(Cl)c1.
What is the InChIKey of 1-[1-(3-chlorophenyl)propylamino]-3-methylbutan-2-ol?
The InChIKey is RIBVAUGWSYFWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO/c1-4-13(16-9-14(17)10(2)3)11-6-5-7-12(15)8-11/h5-8,10,13-14,16-17H,4,9H2,1-3H3.
What are the key properties of 1-[1-(3-chlorophenyl)propylamino]-3-methylbutan-2-ol?
1-[1-(3-chlorophenyl)propylamino]-3-methylbutan-2-ol has a molecular weight of 255.79 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-chlorophenyl)propylamino]-3-methylbutan-2-ol is sourced from PubChem (CID 115668066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).