1-(4-butylphenyl)-1-(2-chlorophenyl)-N-methylmethanamine

C18H22ClN — CID 43484310

IUPAC1-(4-butylphenyl)-1-(2-chlorophenyl)-N-methylmethanamine
SMILESCCCCc1ccc(C(NC)c2ccccc2Cl)cc1
InChIInChI=1S/C18H22ClN/c1-3-4-7-14-10-12-15(13-11-14)18(20-2)16-8-5-6-9-17(16)19/h5-6,8-13,18,20H,3-4,7H2,1-2H3
InChIKeyMMBZORQEXZBLCP-UHFFFAOYSA-N
MW287.83 g/mol
LogP4.99
Rot. Bonds6

About 1-(4-butylphenyl)-1-(2-chlorophenyl)-N-methylmethanamine

1-(4-butylphenyl)-1-(2-chlorophenyl)-N-methylmethanamine (PubChem CID 43484310) has the molecular formula C18H22ClN and a molecular weight of 287.83 g/mol. Its IUPAC name is 1-(4-butylphenyl)-1-(2-chlorophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-butylphenyl)-1-(2-chlorophenyl)-N-methylmethanamine
PubChem CID43484310
Molecular FormulaC18H22ClN
Molecular Weight287.83 g/mol
Exact Mass287.14
IUPAC Name1-(4-butylphenyl)-1-(2-chlorophenyl)-N-methylmethanamine
SMILESCCCCc1ccc(C(NC)c2ccccc2Cl)cc1
InChIInChI=1S/C18H22ClN/c1-3-4-7-14-10-12-15(13-11-14)18(20-2)16-8-5-6-9-17(16)19/h5-6,8-13,18,20H,3-4,7H2,1-2H3
InChIKeyMMBZORQEXZBLCP-UHFFFAOYSA-N
XLogP4.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.83
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromo-2-chlorophenyl)-1-(4-butylphenyl)-N-methylmethanamine
CID 43805236
1-(2,3-dichlorophenyl)-1-(4-ethylphenyl)-N-methylmethanamine
CID 43484734
1-(2-bromo-4-fluorophenyl)-1-(4-butylphenyl)-N-methylmethanamine
CID 43484374
1-(4-butylphenyl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine
CID 43484298
1-(2-bromo-5-methylphenyl)-1-(4-butylphenyl)-N-methylmethanamine
CID 81110681
1-(3-chloro-4-pyridinyl)-N-methyl-1-(4-propylphenyl)methanamine
CID 105144427
1-(2-chlorophenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine
CID 43480147
1-(2-chlorophenyl)-N-methyl-1-naphthalen-2-ylmethanamine
CID 62716429
1-(4-butylphenyl)-1-(3,4-difluorophenyl)-N-methylmethanamine
CID 43484333
1-(4-butylphenyl)-N-[(2-chlorophenyl)methyl]ethanamine
CID 43096351
1-(4-butylphenyl)-N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine
CID 65151645
1-(2-chlorophenyl)-1-(3,5-difluorophenyl)-N-methylmethanamine
CID 55110975

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylphenyl)-1-(2-chlorophenyl)-N-methylmethanamine?
The IUPAC name of 1-(4-butylphenyl)-1-(2-chlorophenyl)-N-methylmethanamine (CID 43484310) is 1-(4-butylphenyl)-1-(2-chlorophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-butylphenyl)-1-(2-chlorophenyl)-N-methylmethanamine?
The canonical SMILES for 1-(4-butylphenyl)-1-(2-chlorophenyl)-N-methylmethanamine is CCCCc1ccc(C(NC)c2ccccc2Cl)cc1.
What is the InChIKey of 1-(4-butylphenyl)-1-(2-chlorophenyl)-N-methylmethanamine?
The InChIKey is MMBZORQEXZBLCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN/c1-3-4-7-14-10-12-15(13-11-14)18(20-2)16-8-5-6-9-17(16)19/h5-6,8-13,18,20H,3-4,7H2,1-2H3.
What are the key properties of 1-(4-butylphenyl)-1-(2-chlorophenyl)-N-methylmethanamine?
1-(4-butylphenyl)-1-(2-chlorophenyl)-N-methylmethanamine has a molecular weight of 287.83 g/mol, XLogP of 4.99, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylphenyl)-1-(2-chlorophenyl)-N-methylmethanamine is sourced from PubChem (CID 43484310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).