1-(4-chlorophenyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine

C17H20ClN — CID 43481401

IUPAC1-(4-chlorophenyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
SMILESCNC(c1ccc(Cl)cc1)c1ccc(C(C)C)cc1
InChIInChI=1S/C17H20ClN/c1-12(2)13-4-6-14(7-5-13)17(19-3)15-8-10-16(18)11-9-15/h4-12,17,19H,1-3H3
InChIKeyQSBLTZWJWBTDMN-UHFFFAOYSA-N
MW273.81 g/mol
LogP4.77
Rot. Bonds4

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

1-(4-chlorophenyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine (PubChem CID 43481401) has the molecular formula C17H20ClN and a molecular weight of 273.81 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
PubChem CID43481401
Molecular FormulaC17H20ClN
Molecular Weight273.81 g/mol
Exact Mass273.13
IUPAC Name1-(4-chlorophenyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
SMILESCNC(c1ccc(Cl)cc1)c1ccc(C(C)C)cc1
InChIInChI=1S/C17H20ClN/c1-12(2)13-4-6-14(7-5-13)17(19-3)15-8-10-16(18)11-9-15/h4-12,17,19H,1-3H3
InChIKeyQSBLTZWJWBTDMN-UHFFFAOYSA-N
XLogP4.77
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 ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-chlorophenyl)-1-(4-iodophenyl)-N-methylmethanamine
CID 43481387
1-(4-bromophenyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 43481044
1-(3-bromo-4-chlorophenyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 115567213
1-(4-chlorophenyl)-N-methyl-1-(2,3,4,5,6-pentafluorophenyl)methanamine
CID 43607978
1-(2-chlorofuran-3-yl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 106684333
1-(5-bromothiophen-3-yl)-1-(4-chlorophenyl)-N-methylmethanamine
CID 105076520
1-(3,5-dichloro-2-pyridinyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 79780803
1-(1,3-benzodioxol-5-yl)-1-(4-chlorophenyl)-N-methylmethanamine
CID 43481461
1-(4-chlorophenyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine
CID 54967967
1-(4-chlorophenyl)-1-(3-methoxy-4-methylphenyl)-N-methylmethanamine
CID 43481405
1-(2-chloro-4-methylphenyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 106857539
1-(3-chloro-4-fluorophenyl)-N-methyl-1-phenylmethanamine
CID 55181591

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine?
The IUPAC name of 1-(4-chlorophenyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine (CID 43481401) is 1-(4-chlorophenyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine?
The canonical SMILES for 1-(4-chlorophenyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine is CNC(c1ccc(Cl)cc1)c1ccc(C(C)C)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine?
The InChIKey is QSBLTZWJWBTDMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN/c1-12(2)13-4-6-14(7-5-13)17(19-3)15-8-10-16(18)11-9-15/h4-12,17,19H,1-3H3.
What are the key properties of 1-(4-chlorophenyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine?
1-(4-chlorophenyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine has a molecular weight of 273.81 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine is sourced from PubChem (CID 43481401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).