N-[1-(3-chlorophenyl)propyl]-2-methylpentan-3-amine

C15H24ClN — CID 43779182

IUPACN-[1-(3-chlorophenyl)propyl]-2-methylpentan-3-amine
SMILESCCC(NC(CC)C(C)C)c1cccc(Cl)c1
InChIInChI=1S/C15H24ClN/c1-5-14(11(3)4)17-15(6-2)12-8-7-9-13(16)10-12/h7-11,14-15,17H,5-6H2,1-4H3
InChIKeyKTTPLJNHMTUDLL-UHFFFAOYSA-N
MW253.82 g/mol
LogP4.82
Rot. Bonds6

About N-[1-(3-chlorophenyl)propyl]-2-methylpentan-3-amine

N-[1-(3-chlorophenyl)propyl]-2-methylpentan-3-amine (PubChem CID 43779182) has the molecular formula C15H24ClN and a molecular weight of 253.82 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)propyl]-2-methylpentan-3-amine.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)propyl]-2-methylpentan-3-amine
PubChem CID43779182
Molecular FormulaC15H24ClN
Molecular Weight253.82 g/mol
Exact Mass253.16
IUPAC NameN-[1-(3-chlorophenyl)propyl]-2-methylpentan-3-amine
SMILESCCC(NC(CC)C(C)C)c1cccc(Cl)c1
InChIInChI=1S/C15H24ClN/c1-5-14(11(3)4)17-15(6-2)12-8-7-9-13(16)10-12/h7-11,14-15,17H,5-6H2,1-4H3
InChIKeyKTTPLJNHMTUDLL-UHFFFAOYSA-N
XLogP4.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.82
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-[1-(3-chlorophenyl)propylamino]-3-methylbutan-1-ol
CID 79254830
N-[1-(3-chlorophenyl)ethyl]-2-methylpentan-3-amine
CID 43767396
N-[1-(3-chlorophenyl)propyl]-3-methylbutan-2-amine
CID 43131327
1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]propan-1-amine
CID 43103044
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
3-[1-(3-chlorophenyl)propylamino]-4,4-dimethylpentan-1-ol
CID 104663679
N-[(1R)-1-(3-chlorophenyl)ethyl]-1-phenylpropan-1-amine
CID 81366125
1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)propan-2-yl]propan-1-amine
CID 43694879
1-(4-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]propan-1-amine
CID 43097661
1-(3-chlorophenyl)-N-[1-(2,6-difluorophenyl)ethyl]propan-1-amine
CID 43674019
1-[1-(3-chlorophenyl)propylamino]-3-methylbutan-2-ol
CID 115668066

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)propyl]-2-methylpentan-3-amine?
The IUPAC name of N-[1-(3-chlorophenyl)propyl]-2-methylpentan-3-amine (CID 43779182) is N-[1-(3-chlorophenyl)propyl]-2-methylpentan-3-amine.
What is the SMILES notation for N-[1-(3-chlorophenyl)propyl]-2-methylpentan-3-amine?
The canonical SMILES for N-[1-(3-chlorophenyl)propyl]-2-methylpentan-3-amine is CCC(NC(CC)C(C)C)c1cccc(Cl)c1.
What is the InChIKey of N-[1-(3-chlorophenyl)propyl]-2-methylpentan-3-amine?
The InChIKey is KTTPLJNHMTUDLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN/c1-5-14(11(3)4)17-15(6-2)12-8-7-9-13(16)10-12/h7-11,14-15,17H,5-6H2,1-4H3.
What are the key properties of N-[1-(3-chlorophenyl)propyl]-2-methylpentan-3-amine?
N-[1-(3-chlorophenyl)propyl]-2-methylpentan-3-amine has a molecular weight of 253.82 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)propyl]-2-methylpentan-3-amine is sourced from PubChem (CID 43779182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).