1-(2-chloro-4-methylphenyl)-N-ethyl-4-phenylbutan-1-amine

C19H24ClN — CID 106857406

IUPAC1-(2-chloro-4-methylphenyl)-N-ethyl-4-phenylbutan-1-amine
SMILESCCNC(CCCc1ccccc1)c1ccc(C)cc1Cl
InChIInChI=1S/C19H24ClN/c1-3-21-19(17-13-12-15(2)14-18(17)20)11-7-10-16-8-5-4-6-9-16/h4-6,8-9,12-14,19,21H,3,7,10-11H2,1-2H3
InChIKeyBRHLRMWZEBWEBZ-UHFFFAOYSA-N
MW301.86 g/mol
LogP5.32
Rot. Bonds7

About 1-(2-chloro-4-methylphenyl)-N-ethyl-4-phenylbutan-1-amine

1-(2-chloro-4-methylphenyl)-N-ethyl-4-phenylbutan-1-amine (PubChem CID 106857406) has the molecular formula C19H24ClN and a molecular weight of 301.86 g/mol. Its IUPAC name is 1-(2-chloro-4-methylphenyl)-N-ethyl-4-phenylbutan-1-amine.

Molecular Properties

Compound Name1-(2-chloro-4-methylphenyl)-N-ethyl-4-phenylbutan-1-amine
PubChem CID106857406
Molecular FormulaC19H24ClN
Molecular Weight301.86 g/mol
Exact Mass301.16
IUPAC Name1-(2-chloro-4-methylphenyl)-N-ethyl-4-phenylbutan-1-amine
SMILESCCNC(CCCc1ccccc1)c1ccc(C)cc1Cl
InChIInChI=1S/C19H24ClN/c1-3-21-19(17-13-12-15(2)14-18(17)20)11-7-10-16-8-5-4-6-9-16/h4-6,8-9,12-14,19,21H,3,7,10-11H2,1-2H3
InChIKeyBRHLRMWZEBWEBZ-UHFFFAOYSA-N
XLogP5.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.86
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-4-methylphenyl)-N-ethyloctan-1-amine
CID 106857215
N-ethyl-1-(4-methylphenyl)-4-phenylbutan-1-amine
CID 63411938
N-ethyl-1-(3-methylphenyl)-4-phenylbutan-1-amine
CID 63413344
1-(2,6-dimethyl-3-pyridinyl)-N-ethyl-4-phenylbutan-1-amine
CID 105139820
1-(2,5-dimethylphenyl)-N-ethyl-3-phenylpropan-1-amine
CID 43490830
1-(2-chloro-4-methylphenyl)-2-(2-chlorophenyl)-N-ethylethanamine
CID 106856990
1-(2-chloro-4-methylphenyl)-N-ethyl-3-methylbut-3-en-1-amine
CID 106858043
1-(2-chloro-4-methylphenyl)-N-propyloctan-1-amine
CID 106857214
1-(2,5-dibromothiophen-3-yl)-N-ethyl-4-phenylbutan-1-amine
CID 107968218
1-(2-chloro-5-fluorophenyl)-N-ethyl-3-phenylpropan-1-amine
CID 105394782
1-(2,5-dimethylphenyl)-N-methyl-4-phenylbutan-1-amine
CID 115849503
1-(2-chloro-4-methylphenyl)-N-ethyl-2-propan-2-yloxyethanamine
CID 106858183

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methylphenyl)-N-ethyl-4-phenylbutan-1-amine?
The IUPAC name of 1-(2-chloro-4-methylphenyl)-N-ethyl-4-phenylbutan-1-amine (CID 106857406) is 1-(2-chloro-4-methylphenyl)-N-ethyl-4-phenylbutan-1-amine.
What is the SMILES notation for 1-(2-chloro-4-methylphenyl)-N-ethyl-4-phenylbutan-1-amine?
The canonical SMILES for 1-(2-chloro-4-methylphenyl)-N-ethyl-4-phenylbutan-1-amine is CCNC(CCCc1ccccc1)c1ccc(C)cc1Cl.
What is the InChIKey of 1-(2-chloro-4-methylphenyl)-N-ethyl-4-phenylbutan-1-amine?
The InChIKey is BRHLRMWZEBWEBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN/c1-3-21-19(17-13-12-15(2)14-18(17)20)11-7-10-16-8-5-4-6-9-16/h4-6,8-9,12-14,19,21H,3,7,10-11H2,1-2H3.
What are the key properties of 1-(2-chloro-4-methylphenyl)-N-ethyl-4-phenylbutan-1-amine?
1-(2-chloro-4-methylphenyl)-N-ethyl-4-phenylbutan-1-amine has a molecular weight of 301.86 g/mol, XLogP of 5.32, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-methylphenyl)-N-ethyl-4-phenylbutan-1-amine is sourced from PubChem (CID 106857406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).