1-(3-chlorophenyl)-N-[(3,5-dimethylphenyl)methyl]ethanamine

C17H20ClN — CID 54940014

IUPAC1-(3-chlorophenyl)-N-[(3,5-dimethylphenyl)methyl]ethanamine
SMILESCc1cc(C)cc(CNC(C)c2cccc(Cl)c2)c1
InChIInChI=1S/C17H20ClN/c1-12-7-13(2)9-15(8-12)11-19-14(3)16-5-4-6-17(18)10-16/h4-10,14,19H,11H2,1-3H3
InChIKeyOOBWJOIESBHAGK-UHFFFAOYSA-N
MW273.81 g/mol
LogP4.81
Rot. Bonds4

About 1-(3-chlorophenyl)-N-[(3,5-dimethylphenyl)methyl]ethanamine

1-(3-chlorophenyl)-N-[(3,5-dimethylphenyl)methyl]ethanamine (PubChem CID 54940014) has the molecular formula C17H20ClN and a molecular weight of 273.81 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[(3,5-dimethylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[(3,5-dimethylphenyl)methyl]ethanamine
PubChem CID54940014
Molecular FormulaC17H20ClN
Molecular Weight273.81 g/mol
Exact Mass273.13
IUPAC Name1-(3-chlorophenyl)-N-[(3,5-dimethylphenyl)methyl]ethanamine
SMILESCc1cc(C)cc(CNC(C)c2cccc(Cl)c2)c1
InChIInChI=1S/C17H20ClN/c1-12-7-13(2)9-15(8-12)11-19-14(3)16-5-4-6-17(18)10-16/h4-10,14,19H,11H2,1-3H3
InChIKeyOOBWJOIESBHAGK-UHFFFAOYSA-N
XLogP4.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.81
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chlorophenyl)-N-[(4-chlorophenyl)methyl]ethanamine
CID 43080024
(1R)-N-[(3-chlorophenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81363703
(1S)-N-[(3,5-dichlorophenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81363727
(1R)-N-[(3-chloro-4-methylphenyl)methyl]-1-(3-chlorophenyl)ethanamine
CID 106816979
1-(3-chlorophenyl)-N-[(3,5-dimethoxyphenyl)methyl]ethanamine
CID 43078961
(1S)-N-[(4-bromophenyl)methyl]-1-(3-chlorophenyl)ethanamine
CID 28649443
(1S)-1-(3-chlorophenyl)-N-[(2,6-dichlorophenyl)methyl]ethanamine
CID 30052784
1-(3-chlorophenyl)-N-[(3-fluorophenyl)methyl]ethanamine
CID 43181407
1-(3-chlorophenyl)-N-[(4-cyclopropylphenyl)methyl]ethanamine
CID 79978825
(1R)-1-(3-chlorophenyl)-N-[(4-trimethylsilylphenyl)methyl]ethanamine
CID 103437957
(1S)-1-(3-chlorophenyl)-N-[(2-methylphenyl)methyl]ethanamine
CID 29276650
(1S)-1-(3-chlorophenyl)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 28649457

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[(3,5-dimethylphenyl)methyl]ethanamine?
The IUPAC name of 1-(3-chlorophenyl)-N-[(3,5-dimethylphenyl)methyl]ethanamine (CID 54940014) is 1-(3-chlorophenyl)-N-[(3,5-dimethylphenyl)methyl]ethanamine.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[(3,5-dimethylphenyl)methyl]ethanamine?
The canonical SMILES for 1-(3-chlorophenyl)-N-[(3,5-dimethylphenyl)methyl]ethanamine is Cc1cc(C)cc(CNC(C)c2cccc(Cl)c2)c1.
What is the InChIKey of 1-(3-chlorophenyl)-N-[(3,5-dimethylphenyl)methyl]ethanamine?
The InChIKey is OOBWJOIESBHAGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN/c1-12-7-13(2)9-15(8-12)11-19-14(3)16-5-4-6-17(18)10-16/h4-10,14,19H,11H2,1-3H3.
What are the key properties of 1-(3-chlorophenyl)-N-[(3,5-dimethylphenyl)methyl]ethanamine?
1-(3-chlorophenyl)-N-[(3,5-dimethylphenyl)methyl]ethanamine has a molecular weight of 273.81 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-[(3,5-dimethylphenyl)methyl]ethanamine is sourced from PubChem (CID 54940014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).