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

C14H22ClN — CID 43767396

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

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

N-[1-(3-chlorophenyl)ethyl]-2-methylpentan-3-amine (PubChem CID 43767396) has the molecular formula C14H22ClN and a molecular weight of 239.79 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)ethyl]-2-methylpentan-3-amine.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)ethyl]-2-methylpentan-3-amine
PubChem CID43767396
Molecular FormulaC14H22ClN
Molecular Weight239.79 g/mol
Exact Mass239.14
IUPAC NameN-[1-(3-chlorophenyl)ethyl]-2-methylpentan-3-amine
SMILESCCC(NC(C)c1cccc(Cl)c1)C(C)C
InChIInChI=1S/C14H22ClN/c1-5-14(10(2)3)16-11(4)12-7-6-8-13(15)9-12/h6-11,14,16H,5H2,1-4H3
InChIKeyDZCJLXDIIILQFX-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
1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]ethanamine
CID 43099530
(2S)-2-[1-(3-chlorophenyl)propylamino]-3-methylbutan-1-ol
CID 79254830
N-[(1R)-1-(3-chlorophenyl)ethyl]-1-phenylpropan-1-amine
CID 81366125
1-(4-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]propan-1-amine
CID 43097661
(2S)-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]butan-1-ol
CID 28724284
1-(3-chlorophenyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]propan-1-amine
CID 81353113
1-(3-chlorophenyl)-N-[(1S)-1-(3-fluorophenyl)ethyl]propan-1-amine
CID 81365780
N-[1-(3-chlorophenyl)propyl]-3-methylbutan-2-amine
CID 43131327
N-[(1R)-1-(3-chlorophenyl)ethyl]-1-(furan-2-yl)propan-1-amine
CID 81366262
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]butanamide
CID 81372858

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)ethyl]-2-methylpentan-3-amine?
The IUPAC name of N-[1-(3-chlorophenyl)ethyl]-2-methylpentan-3-amine (CID 43767396) is N-[1-(3-chlorophenyl)ethyl]-2-methylpentan-3-amine.
What is the SMILES notation for N-[1-(3-chlorophenyl)ethyl]-2-methylpentan-3-amine?
The canonical SMILES for N-[1-(3-chlorophenyl)ethyl]-2-methylpentan-3-amine is CCC(NC(C)c1cccc(Cl)c1)C(C)C.
What is the InChIKey of N-[1-(3-chlorophenyl)ethyl]-2-methylpentan-3-amine?
The InChIKey is DZCJLXDIIILQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN/c1-5-14(10(2)3)16-11(4)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)ethyl]-2-methylpentan-3-amine?
N-[1-(3-chlorophenyl)ethyl]-2-methylpentan-3-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)ethyl]-2-methylpentan-3-amine is sourced from PubChem (CID 43767396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).