1-(3-chloro-4-methylphenyl)-1-(2-methoxy-3,4-dimethylphenyl)-N-methylmethanamine

C18H22ClNO — CID 103435225

IUPAC1-(3-chloro-4-methylphenyl)-1-(2-methoxy-3,4-dimethylphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(C)c(Cl)c1)c1ccc(C)c(C)c1OC
InChIInChI=1S/C18H22ClNO/c1-11-7-9-15(18(21-5)13(11)3)17(20-4)14-8-6-12(2)16(19)10-14/h6-10,17,20H,1-5H3
InChIKeyDILNBFHCVOLVFV-UHFFFAOYSA-N
MW303.83 g/mol
LogP4.58
Rot. Bonds4

About 1-(3-chloro-4-methylphenyl)-1-(2-methoxy-3,4-dimethylphenyl)-N-methylmethanamine

1-(3-chloro-4-methylphenyl)-1-(2-methoxy-3,4-dimethylphenyl)-N-methylmethanamine (PubChem CID 103435225) has the molecular formula C18H22ClNO and a molecular weight of 303.83 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-1-(2-methoxy-3,4-dimethylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-1-(2-methoxy-3,4-dimethylphenyl)-N-methylmethanamine
PubChem CID103435225
Molecular FormulaC18H22ClNO
Molecular Weight303.83 g/mol
Exact Mass303.14
IUPAC Name1-(3-chloro-4-methylphenyl)-1-(2-methoxy-3,4-dimethylphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(C)c(Cl)c1)c1ccc(C)c(C)c1OC
InChIInChI=1S/C18H22ClNO/c1-11-7-9-15(18(21-5)13(11)3)17(20-4)14-8-6-12(2)16(19)10-14/h6-10,17,20H,1-5H3
InChIKeyDILNBFHCVOLVFV-UHFFFAOYSA-N
XLogP4.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.83
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromophenyl)-1-(2-methoxy-3,4-dimethylphenyl)-N-methylmethanamine
CID 103433281
1-(3-chloro-4-methylphenyl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine
CID 63194536
1-(3-chloro-4-methylphenyl)-1-(2,4-dimethoxyphenyl)-N-methylmethanamine
CID 63194662
1-(3-bromo-5-chlorophenyl)-1-(2-methoxy-3,4-dimethylphenyl)-N-methylmethanamine
CID 107947096
1-(3-chloro-4-methylphenyl)-1-(2-methoxy-5-methylphenyl)-N-methylmethanamine
CID 63195310
[(3-chloro-4-iodophenyl)-(2-methoxy-3,4-dimethylphenyl)methyl]hydrazine
CID 103436374
1-(2-methoxy-3,4-dimethylphenyl)-N-methyl-1-(5-methylfuran-3-yl)methanamine
CID 103435167
1-(4-bromo-2-methylphenyl)-1-(3-chloro-4-methylphenyl)-N-methylmethanamine
CID 107560807
1-(2-methoxy-3,4-dimethylphenyl)-N-methyl-1-(5-methyl-3-pyridinyl)methanamine
CID 103435227
1-(3-chloro-4-methylphenyl)-N-methyl-1-(2,4,5-trifluorophenyl)methanamine
CID 103302453
[(3,4-dimethylphenyl)-(2-methoxy-3,4-dimethylphenyl)methyl]hydrazine
CID 103436388
1-(3-chloro-4-methoxyphenyl)-N-methyl-1-(2-methylphenyl)methanamine
CID 43480974

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-1-(2-methoxy-3,4-dimethylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-1-(2-methoxy-3,4-dimethylphenyl)-N-methylmethanamine (CID 103435225) is 1-(3-chloro-4-methylphenyl)-1-(2-methoxy-3,4-dimethylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-1-(2-methoxy-3,4-dimethylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-1-(2-methoxy-3,4-dimethylphenyl)-N-methylmethanamine is CNC(c1ccc(C)c(Cl)c1)c1ccc(C)c(C)c1OC.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-1-(2-methoxy-3,4-dimethylphenyl)-N-methylmethanamine?
The InChIKey is DILNBFHCVOLVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO/c1-11-7-9-15(18(21-5)13(11)3)17(20-4)14-8-6-12(2)16(19)10-14/h6-10,17,20H,1-5H3.
What are the key properties of 1-(3-chloro-4-methylphenyl)-1-(2-methoxy-3,4-dimethylphenyl)-N-methylmethanamine?
1-(3-chloro-4-methylphenyl)-1-(2-methoxy-3,4-dimethylphenyl)-N-methylmethanamine has a molecular weight of 303.83 g/mol, XLogP of 4.58, 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-methylphenyl)-1-(2-methoxy-3,4-dimethylphenyl)-N-methylmethanamine is sourced from PubChem (CID 103435225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).