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

C14H22ClN — CID 43131327

IUPACN-[1-(3-chlorophenyl)propyl]-3-methylbutan-2-amine
SMILESCCC(NC(C)C(C)C)c1cccc(Cl)c1
InChIInChI=1S/C14H22ClN/c1-5-14(16-11(4)10(2)3)12-7-6-8-13(15)9-12/h6-11,14,16H,5H2,1-4H3
InChIKeyMKOCDCUIUJKGKJ-UHFFFAOYSA-N
MW239.79 g/mol
LogP4.43
Rot. Bonds5

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

N-[1-(3-chlorophenyl)propyl]-3-methylbutan-2-amine (PubChem CID 43131327) has the molecular formula C14H22ClN and a molecular weight of 239.79 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)propyl]-3-methylbutan-2-amine.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)propyl]-3-methylbutan-2-amine
PubChem CID43131327
Molecular FormulaC14H22ClN
Molecular Weight239.79 g/mol
Exact Mass239.14
IUPAC NameN-[1-(3-chlorophenyl)propyl]-3-methylbutan-2-amine
SMILESCCC(NC(C)C(C)C)c1cccc(Cl)c1
InChIInChI=1S/C14H22ClN/c1-5-14(16-11(4)10(2)3)12-7-6-8-13(15)9-12/h6-11,14,16H,5H2,1-4H3
InChIKeyMKOCDCUIUJKGKJ-UHFFFAOYSA-N
XLogP4.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.79
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(3-chlorophenyl)propyl]-2-methylpentan-3-amine
CID 43779182
1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]propan-1-amine
CID 43103044
(2S)-2-[1-(3-chlorophenyl)propylamino]-3-methylbutan-1-ol
CID 79254830
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
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
(2R)-3-methyl-N-[(1R)-1-phenylpropyl]butan-2-amine
CID 29012459
1-(4-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]propan-1-amine
CID 43097661
1-(3-chlorophenyl)-N-[(1S)-1-(3-fluorophenyl)ethyl]propan-1-amine
CID 81365780
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]-3-methylbutan-2-amine?
The IUPAC name of N-[1-(3-chlorophenyl)propyl]-3-methylbutan-2-amine (CID 43131327) is N-[1-(3-chlorophenyl)propyl]-3-methylbutan-2-amine.
What is the SMILES notation for N-[1-(3-chlorophenyl)propyl]-3-methylbutan-2-amine?
The canonical SMILES for N-[1-(3-chlorophenyl)propyl]-3-methylbutan-2-amine is CCC(NC(C)C(C)C)c1cccc(Cl)c1.
What is the InChIKey of N-[1-(3-chlorophenyl)propyl]-3-methylbutan-2-amine?
The InChIKey is MKOCDCUIUJKGKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN/c1-5-14(16-11(4)10(2)3)12-7-6-8-13(15)9-12/h6-11,14,16H,5H2,1-4H3.
What are the key properties of N-[1-(3-chlorophenyl)propyl]-3-methylbutan-2-amine?
N-[1-(3-chlorophenyl)propyl]-3-methylbutan-2-amine has a molecular weight of 239.79 g/mol, XLogP of 4.43, 5 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]-3-methylbutan-2-amine is sourced from PubChem (CID 43131327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).