1-(3-chlorophenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine

C18H22ClN — CID 63411987

IUPAC1-(3-chlorophenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
SMILESCNC(Cc1ccc(C(C)C)cc1)c1cccc(Cl)c1
InChIInChI=1S/C18H22ClN/c1-13(2)15-9-7-14(8-10-15)11-18(20-3)16-5-4-6-17(19)12-16/h4-10,12-13,18,20H,11H2,1-3H3
InChIKeyMGDFDVKYKNDFCV-UHFFFAOYSA-N
MW287.83 g/mol
LogP4.97
Rot. Bonds5

About 1-(3-chlorophenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine

1-(3-chlorophenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine (PubChem CID 63411987) has the molecular formula C18H22ClN and a molecular weight of 287.83 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
PubChem CID63411987
Molecular FormulaC18H22ClN
Molecular Weight287.83 g/mol
Exact Mass287.14
IUPAC Name1-(3-chlorophenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
SMILESCNC(Cc1ccc(C(C)C)cc1)c1cccc(Cl)c1
InChIInChI=1S/C18H22ClN/c1-13(2)15-9-7-14(8-10-15)11-18(20-3)16-5-4-6-17(19)12-16/h4-10,12-13,18,20H,11H2,1-3H3
InChIKeyMGDFDVKYKNDFCV-UHFFFAOYSA-N
XLogP4.97
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 ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chlorophenyl)-2-(4-chlorophenyl)-N-methylethanamine
CID 60818995
N-methyl-1-(3-methylphenyl)-2-(4-propan-2-ylphenyl)ethanamine
CID 63413558
1-(3-chlorophenyl)-N-methyl-2-(4-nitrophenyl)ethanamine
CID 61064647
1-(3-bromophenyl)-2-(4-chlorophenyl)-N-methylethanamine
CID 60818143
2-(3-chlorophenyl)-N-methyl-1-naphthalen-2-ylethanamine
CID 63412161
1-[1-(3-chlorophenyl)-2-(4-chlorophenyl)ethyl]-2-ethylhydrazine
CID 91267468
2-(4-chlorophenyl)-1-(3,4-dichlorophenyl)-N-methylethanamine
CID 43486451
1-[3-bromo-2-(3-chlorophenyl)propyl]-4-propan-2-ylbenzene
CID 79432003
1-(3,5-dibromophenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
CID 107974526
2-(4-chlorophenyl)-1-[3-(difluoromethoxy)phenyl]-N-methylethanamine
CID 61065024
2-(3-methoxyphenyl)-N-methyl-1-(4-propan-2-ylphenyl)ethanamine
CID 43625329
2-(3-chlorophenyl)-1-(3-ethoxyphenyl)-N-methylethanamine
CID 60818609

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine?
The IUPAC name of 1-(3-chlorophenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine (CID 63411987) is 1-(3-chlorophenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine.
What is the SMILES notation for 1-(3-chlorophenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine?
The canonical SMILES for 1-(3-chlorophenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine is CNC(Cc1ccc(C(C)C)cc1)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine?
The InChIKey is MGDFDVKYKNDFCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN/c1-13(2)15-9-7-14(8-10-15)11-18(20-3)16-5-4-6-17(19)12-16/h4-10,12-13,18,20H,11H2,1-3H3.
What are the key properties of 1-(3-chlorophenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine?
1-(3-chlorophenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine has a molecular weight of 287.83 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine is sourced from PubChem (CID 63411987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).