1-(3-chloro-4-methoxyphenyl)-N-methyl-1-(2-methylphenyl)methanamine

C16H18ClNO — CID 43480974

IUPAC1-(3-chloro-4-methoxyphenyl)-N-methyl-1-(2-methylphenyl)methanamine
SMILESCNC(c1ccc(OC)c(Cl)c1)c1ccccc1C
InChIInChI=1S/C16H18ClNO/c1-11-6-4-5-7-13(11)16(18-2)12-8-9-15(19-3)14(17)10-12/h4-10,16,18H,1-3H3
InChIKeyKSODAAPHQNVEFA-UHFFFAOYSA-N
MW275.78 g/mol
LogP3.97
Rot. Bonds4

About 1-(3-chloro-4-methoxyphenyl)-N-methyl-1-(2-methylphenyl)methanamine

1-(3-chloro-4-methoxyphenyl)-N-methyl-1-(2-methylphenyl)methanamine (PubChem CID 43480974) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is 1-(3-chloro-4-methoxyphenyl)-N-methyl-1-(2-methylphenyl)methanamine.

Molecular Properties

Compound Name1-(3-chloro-4-methoxyphenyl)-N-methyl-1-(2-methylphenyl)methanamine
PubChem CID43480974
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC Name1-(3-chloro-4-methoxyphenyl)-N-methyl-1-(2-methylphenyl)methanamine
SMILESCNC(c1ccc(OC)c(Cl)c1)c1ccccc1C
InChIInChI=1S/C16H18ClNO/c1-11-6-4-5-7-13(11)16(18-2)12-8-9-15(19-3)14(17)10-12/h4-10,16,18H,1-3H3
InChIKeyKSODAAPHQNVEFA-UHFFFAOYSA-N
XLogP3.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-4-methoxyphenyl)-1-(2-fluorophenyl)-N-methylmethanamine
CID 43480952
1-(3-chloro-4-methoxyphenyl)-1-(2-ethoxyphenyl)-N-methylmethanamine
CID 43480963
1-(3-chloro-4-methoxyphenyl)-1-(2,3-difluorophenyl)-N-methylmethanamine
CID 62649514
1-(3-chloro-4-methylphenyl)-1-(2-methoxy-5-methylphenyl)-N-methylmethanamine
CID 63195310
1-(3-chloro-4-methoxyphenyl)-1-(3-chlorophenyl)-N-methylmethanamine
CID 43480965
1-(4-chloro-2-fluorophenyl)-1-(3-chloro-4-methoxyphenyl)-N-methylmethanamine
CID 43480929
1-(2-methoxy-4-methylphenyl)-N-methyl-1-(2-methylphenyl)methanamine
CID 106792109
1-(2-fluorophenyl)-1-(4-methoxy-3-methylphenyl)-N-methylmethanamine
CID 43487462
1-(2-chlorophenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine
CID 43480147
1-(5-chloro-2-methoxyphenyl)-1-(4-chlorophenyl)-N-methylmethanamine
CID 43481413
1-(4,5-dimethoxy-2-methylphenyl)-N-methyl-1-(2-methylphenyl)methanamine
CID 43626718
1-(2-bromo-4-fluorophenyl)-1-(3-chloro-4-methoxyphenyl)-N-methylmethanamine
CID 43480979

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methoxyphenyl)-N-methyl-1-(2-methylphenyl)methanamine?
The IUPAC name of 1-(3-chloro-4-methoxyphenyl)-N-methyl-1-(2-methylphenyl)methanamine (CID 43480974) is 1-(3-chloro-4-methoxyphenyl)-N-methyl-1-(2-methylphenyl)methanamine.
What is the SMILES notation for 1-(3-chloro-4-methoxyphenyl)-N-methyl-1-(2-methylphenyl)methanamine?
The canonical SMILES for 1-(3-chloro-4-methoxyphenyl)-N-methyl-1-(2-methylphenyl)methanamine is CNC(c1ccc(OC)c(Cl)c1)c1ccccc1C.
What is the InChIKey of 1-(3-chloro-4-methoxyphenyl)-N-methyl-1-(2-methylphenyl)methanamine?
The InChIKey is KSODAAPHQNVEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO/c1-11-6-4-5-7-13(11)16(18-2)12-8-9-15(19-3)14(17)10-12/h4-10,16,18H,1-3H3.
What are the key properties of 1-(3-chloro-4-methoxyphenyl)-N-methyl-1-(2-methylphenyl)methanamine?
1-(3-chloro-4-methoxyphenyl)-N-methyl-1-(2-methylphenyl)methanamine has a molecular weight of 275.78 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methoxyphenyl)-N-methyl-1-(2-methylphenyl)methanamine is sourced from PubChem (CID 43480974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).