3-[1-(3-chlorophenyl)propylamino]-4,4-dimethylpentan-1-ol

C16H26ClNO — CID 104663679

IUPAC3-[1-(3-chlorophenyl)propylamino]-4,4-dimethylpentan-1-ol
SMILESCCC(NC(CCO)C(C)(C)C)c1cccc(Cl)c1
InChIInChI=1S/C16H26ClNO/c1-5-14(12-7-6-8-13(17)11-12)18-15(9-10-19)16(2,3)4/h6-8,11,14-15,18-19H,5,9-10H2,1-4H3
InChIKeyHVYYNHDLEWHRNR-UHFFFAOYSA-N
MW283.84 g/mol
LogP4.18
Rot. Bonds6

About 3-[1-(3-chlorophenyl)propylamino]-4,4-dimethylpentan-1-ol

3-[1-(3-chlorophenyl)propylamino]-4,4-dimethylpentan-1-ol (PubChem CID 104663679) has the molecular formula C16H26ClNO and a molecular weight of 283.84 g/mol. Its IUPAC name is 3-[1-(3-chlorophenyl)propylamino]-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name3-[1-(3-chlorophenyl)propylamino]-4,4-dimethylpentan-1-ol
PubChem CID104663679
Molecular FormulaC16H26ClNO
Molecular Weight283.84 g/mol
Exact Mass283.17
IUPAC Name3-[1-(3-chlorophenyl)propylamino]-4,4-dimethylpentan-1-ol
SMILESCCC(NC(CCO)C(C)(C)C)c1cccc(Cl)c1
InChIInChI=1S/C16H26ClNO/c1-5-14(12-7-6-8-13(17)11-12)18-15(9-10-19)16(2,3)4/h6-8,11,14-15,18-19H,5,9-10H2,1-4H3
InChIKeyHVYYNHDLEWHRNR-UHFFFAOYSA-N
XLogP4.18
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
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

(2S)-2-[1-(3-chlorophenyl)propylamino]-3-methylbutan-1-ol
CID 79254830
N-[1-(3-chlorophenyl)propyl]-2-methylpentan-3-amine
CID 43779182
N-[1-(3-chlorophenyl)propyl]-3-methylbutan-2-amine
CID 43131327
1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]propan-1-amine
CID 43103044
1-(3-chlorophenyl)-N-[(2-methylpropan-2-yl)oxy]propan-1-amine
CID 82720395
2-[1-(3-chlorophenyl)propylamino]-2-methylpropanamide
CID 61210694
2-N-[1-(3-chlorophenyl)propyl]propane-1,2-diamine
CID 103387962
1-(3-chlorophenyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]propan-1-amine
CID 81353113
1-[1-(3-chlorophenyl)propylamino]-3-methylbutan-2-ol
CID 115668066
1-[1-(3-chlorophenyl)propylamino]pentan-3-ol
CID 113262773
[4-[[1-(3-chlorophenyl)propylamino]methyl]phenyl]methanol
CID 103947369
1-(3-chlorophenyl)-N-methoxypropan-1-amine
CID 82707450

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-chlorophenyl)propylamino]-4,4-dimethylpentan-1-ol?
The IUPAC name of 3-[1-(3-chlorophenyl)propylamino]-4,4-dimethylpentan-1-ol (CID 104663679) is 3-[1-(3-chlorophenyl)propylamino]-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 3-[1-(3-chlorophenyl)propylamino]-4,4-dimethylpentan-1-ol?
The canonical SMILES for 3-[1-(3-chlorophenyl)propylamino]-4,4-dimethylpentan-1-ol is CCC(NC(CCO)C(C)(C)C)c1cccc(Cl)c1.
What is the InChIKey of 3-[1-(3-chlorophenyl)propylamino]-4,4-dimethylpentan-1-ol?
The InChIKey is HVYYNHDLEWHRNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClNO/c1-5-14(12-7-6-8-13(17)11-12)18-15(9-10-19)16(2,3)4/h6-8,11,14-15,18-19H,5,9-10H2,1-4H3.
What are the key properties of 3-[1-(3-chlorophenyl)propylamino]-4,4-dimethylpentan-1-ol?
3-[1-(3-chlorophenyl)propylamino]-4,4-dimethylpentan-1-ol has a molecular weight of 283.84 g/mol, XLogP of 4.18, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-chlorophenyl)propylamino]-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 104663679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).