N-[(3-chlorophenyl)-(2,4,6-trimethylphenyl)methyl]propan-1-amine

C19H24ClN — CID 43496369

IUPACN-[(3-chlorophenyl)-(2,4,6-trimethylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(Cl)c1)c1c(C)cc(C)cc1C
InChIInChI=1S/C19H24ClN/c1-5-9-21-19(16-7-6-8-17(20)12-16)18-14(3)10-13(2)11-15(18)4/h6-8,10-12,19,21H,5,9H2,1-4H3
InChIKeyKZPMOTHOOBDALM-UHFFFAOYSA-N
MW301.86 g/mol
LogP5.35
Rot. Bonds5

About N-[(3-chlorophenyl)-(2,4,6-trimethylphenyl)methyl]propan-1-amine

N-[(3-chlorophenyl)-(2,4,6-trimethylphenyl)methyl]propan-1-amine (PubChem CID 43496369) has the molecular formula C19H24ClN and a molecular weight of 301.86 g/mol. Its IUPAC name is N-[(3-chlorophenyl)-(2,4,6-trimethylphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)-(2,4,6-trimethylphenyl)methyl]propan-1-amine
PubChem CID43496369
Molecular FormulaC19H24ClN
Molecular Weight301.86 g/mol
Exact Mass301.16
IUPAC NameN-[(3-chlorophenyl)-(2,4,6-trimethylphenyl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(Cl)c1)c1c(C)cc(C)cc1C
InChIInChI=1S/C19H24ClN/c1-5-9-21-19(16-7-6-8-17(20)12-16)18-14(3)10-13(2)11-15(18)4/h6-8,10-12,19,21H,5,9H2,1-4H3
InChIKeyKZPMOTHOOBDALM-UHFFFAOYSA-N
XLogP5.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.86
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-chlorophenyl)-(2,5-dimethylphenyl)methyl]propan-1-amine
CID 43496153
N-[(3-chlorophenyl)-(3-fluoro-5-methylphenyl)methyl]propan-1-amine
CID 79705264
N-[(3-chlorophenyl)-(2-methylphenyl)methyl]propan-1-amine
CID 60819696
N-[(3-chlorophenyl)-(2,4,5-trimethylphenyl)methyl]propan-1-amine
CID 64989692
N-[(3-chlorophenyl)-(4-propan-2-ylphenyl)methyl]propan-1-amine
CID 43625480
N-[(3-chlorophenyl)-(4,5-dimethylthiophen-2-yl)methyl]propan-1-amine
CID 115811211
N-[(4-chlorophenyl)-(2-fluoro-4,6-dimethylphenyl)methyl]propan-1-amine
CID 106881255
N-[(3-chlorophenyl)-(4-methyl-2-pyridinyl)methyl]propan-1-amine
CID 63840842
N-[(3-chlorophenyl)-(2,5-dichlorophenyl)methyl]propan-1-amine
CID 43497693
N-[(3-chlorophenyl)-(4-iodophenyl)methyl]propan-1-amine
CID 115812106
N-[(4-fluoro-2,6-dimethylphenyl)-(3-fluorophenyl)methyl]propan-1-amine
CID 106878531
N-[(3-chlorophenyl)-(4-methoxyphenyl)methyl]propan-1-amine
CID 43495020

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)-(2,4,6-trimethylphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(3-chlorophenyl)-(2,4,6-trimethylphenyl)methyl]propan-1-amine (CID 43496369) is N-[(3-chlorophenyl)-(2,4,6-trimethylphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-chlorophenyl)-(2,4,6-trimethylphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-chlorophenyl)-(2,4,6-trimethylphenyl)methyl]propan-1-amine is CCCNC(c1cccc(Cl)c1)c1c(C)cc(C)cc1C.
What is the InChIKey of N-[(3-chlorophenyl)-(2,4,6-trimethylphenyl)methyl]propan-1-amine?
The InChIKey is KZPMOTHOOBDALM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN/c1-5-9-21-19(16-7-6-8-17(20)12-16)18-14(3)10-13(2)11-15(18)4/h6-8,10-12,19,21H,5,9H2,1-4H3.
What are the key properties of N-[(3-chlorophenyl)-(2,4,6-trimethylphenyl)methyl]propan-1-amine?
N-[(3-chlorophenyl)-(2,4,6-trimethylphenyl)methyl]propan-1-amine has a molecular weight of 301.86 g/mol, XLogP of 5.35, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)-(2,4,6-trimethylphenyl)methyl]propan-1-amine is sourced from PubChem (CID 43496369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).