1-(3-chlorophenyl)-N-ethyl-3-methylpentan-1-amine

C14H22ClN — CID 63412580

IUPAC1-(3-chlorophenyl)-N-ethyl-3-methylpentan-1-amine
SMILESCCNC(CC(C)CC)c1cccc(Cl)c1
InChIInChI=1S/C14H22ClN/c1-4-11(3)9-14(16-5-2)12-7-6-8-13(15)10-12/h6-8,10-11,14,16H,4-5,9H2,1-3H3
InChIKeyRWDDTQZIMOPLKR-UHFFFAOYSA-N
MW239.79 g/mol
LogP4.43
Rot. Bonds6

About 1-(3-chlorophenyl)-N-ethyl-3-methylpentan-1-amine

1-(3-chlorophenyl)-N-ethyl-3-methylpentan-1-amine (PubChem CID 63412580) has the molecular formula C14H22ClN and a molecular weight of 239.79 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-ethyl-3-methylpentan-1-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-ethyl-3-methylpentan-1-amine
PubChem CID63412580
Molecular FormulaC14H22ClN
Molecular Weight239.79 g/mol
Exact Mass239.14
IUPAC Name1-(3-chlorophenyl)-N-ethyl-3-methylpentan-1-amine
SMILESCCNC(CC(C)CC)c1cccc(Cl)c1
InChIInChI=1S/C14H22ClN/c1-4-11(3)9-14(16-5-2)12-7-6-8-13(15)10-12/h6-8,10-11,14,16H,4-5,9H2,1-3H3
InChIKeyRWDDTQZIMOPLKR-UHFFFAOYSA-N
XLogP4.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
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-ethyl-1-(3-iodophenyl)-3-methylpentan-1-amine
CID 115846379
N-ethyl-3-methyl-1-[3-(2-methylpropyl)phenyl]pentan-1-amine
CID 105050715
N-ethyl-3-methyl-1-(3-methylsulfonylphenyl)pentan-1-amine
CID 115846387
1-(3-chlorophenyl)-N-ethyl-3,3-dimethylbutan-1-amine
CID 63891305
4-(3-chlorophenyl)-4-(ethylamino)butan-1-ol
CID 69402715
3-[1-(3-chlorophenyl)propylamino]-2-methylpropan-1-ol
CID 65031717
1-(3-chlorophenyl)-2-(3-chlorophenyl)sulfanyl-N-ethylethanamine
CID 66148934
1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]propan-1-amine
CID 43103044
N-[1-(3-chlorophenyl)propyl]-3-methylbutan-2-amine
CID 43131327
N-[1-(3-chlorophenyl)propyl]-2-methylpentan-3-amine
CID 43779182
1-(3-chlorophenyl)-N-(2-phenylpropyl)propan-1-amine
CID 43096371
1-(3-chlorophenyl)-N-ethyl-N'-methyl-N'-propylpropane-1,3-diamine
CID 62630766

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-ethyl-3-methylpentan-1-amine?
The IUPAC name of 1-(3-chlorophenyl)-N-ethyl-3-methylpentan-1-amine (CID 63412580) is 1-(3-chlorophenyl)-N-ethyl-3-methylpentan-1-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-N-ethyl-3-methylpentan-1-amine?
The canonical SMILES for 1-(3-chlorophenyl)-N-ethyl-3-methylpentan-1-amine is CCNC(CC(C)CC)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-N-ethyl-3-methylpentan-1-amine?
The InChIKey is RWDDTQZIMOPLKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN/c1-4-11(3)9-14(16-5-2)12-7-6-8-13(15)10-12/h6-8,10-11,14,16H,4-5,9H2,1-3H3.
What are the key properties of 1-(3-chlorophenyl)-N-ethyl-3-methylpentan-1-amine?
1-(3-chlorophenyl)-N-ethyl-3-methylpentan-1-amine has a molecular weight of 239.79 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-ethyl-3-methylpentan-1-amine is sourced from PubChem (CID 63412580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).