1-(3-chloro-4-methylphenyl)-N-methyl-1-(3-propylphenyl)methanamine

C18H22ClN — CID 105050563

IUPAC1-(3-chloro-4-methylphenyl)-N-methyl-1-(3-propylphenyl)methanamine
SMILESCCCc1cccc(C(NC)c2ccc(C)c(Cl)c2)c1
InChIInChI=1S/C18H22ClN/c1-4-6-14-7-5-8-15(11-14)18(20-3)16-10-9-13(2)17(19)12-16/h5,7-12,18,20H,4,6H2,1-3H3
InChIKeyMBIJBWSJBWXRBZ-UHFFFAOYSA-N
MW287.83 g/mol
LogP4.91
Rot. Bonds5

About 1-(3-chloro-4-methylphenyl)-N-methyl-1-(3-propylphenyl)methanamine

1-(3-chloro-4-methylphenyl)-N-methyl-1-(3-propylphenyl)methanamine (PubChem CID 105050563) has the molecular formula C18H22ClN and a molecular weight of 287.83 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-N-methyl-1-(3-propylphenyl)methanamine.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-N-methyl-1-(3-propylphenyl)methanamine
PubChem CID105050563
Molecular FormulaC18H22ClN
Molecular Weight287.83 g/mol
Exact Mass287.14
IUPAC Name1-(3-chloro-4-methylphenyl)-N-methyl-1-(3-propylphenyl)methanamine
SMILESCCCc1cccc(C(NC)c2ccc(C)c(Cl)c2)c1
InChIInChI=1S/C18H22ClN/c1-4-6-14-7-5-8-15(11-14)18(20-3)16-10-9-13(2)17(19)12-16/h5,7-12,18,20H,4,6H2,1-3H3
InChIKeyMBIJBWSJBWXRBZ-UHFFFAOYSA-N
XLogP4.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.83
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-chloro-4-methylphenyl)-(3-propylphenyl)methyl]ethanamine
CID 105050507
N-methyl-1-(4-propan-2-ylphenyl)-1-(3-propylphenyl)methanamine
CID 116543873
1-(4-bromo-3-methylphenyl)-N-methyl-1-(3-propylphenyl)methanamine
CID 105050441
1-(3-chloro-4-methylphenyl)-N-methyl-1-(3-propoxyphenyl)methanamine
CID 107561661
N-[(4-chloro-3-methylphenyl)-(3-propylphenyl)methyl]ethanamine
CID 105050433
N-[(3-chloro-4-methylphenyl)-(4-propylphenyl)methyl]ethanamine
CID 63508480
1-(3,4-dimethylphenyl)-1-(3-ethylphenyl)-N-methylmethanamine
CID 105018579
N-methyl-1-(3-propylphenyl)-1-pyrimidin-5-ylmethanamine
CID 102923924
[(3,4-dimethylphenyl)-(3-propylphenyl)methyl]hydrazine
CID 105340471
N-[(4-methylphenyl)-(3-propylphenyl)methyl]propan-1-amine
CID 116543927
N-methyl-1-(3-methyl-2-pyridinyl)-1-(3-propylphenyl)methanamine
CID 116544148
N-[(2,6-dichlorophenyl)-(3-propylphenyl)methyl]ethanamine
CID 105050234

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-N-methyl-1-(3-propylphenyl)methanamine?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-N-methyl-1-(3-propylphenyl)methanamine (CID 105050563) is 1-(3-chloro-4-methylphenyl)-N-methyl-1-(3-propylphenyl)methanamine.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-N-methyl-1-(3-propylphenyl)methanamine?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-N-methyl-1-(3-propylphenyl)methanamine is CCCc1cccc(C(NC)c2ccc(C)c(Cl)c2)c1.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-N-methyl-1-(3-propylphenyl)methanamine?
The InChIKey is MBIJBWSJBWXRBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN/c1-4-6-14-7-5-8-15(11-14)18(20-3)16-10-9-13(2)17(19)12-16/h5,7-12,18,20H,4,6H2,1-3H3.
What are the key properties of 1-(3-chloro-4-methylphenyl)-N-methyl-1-(3-propylphenyl)methanamine?
1-(3-chloro-4-methylphenyl)-N-methyl-1-(3-propylphenyl)methanamine has a molecular weight of 287.83 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)-N-methyl-1-(3-propylphenyl)methanamine is sourced from PubChem (CID 105050563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).