1-(2-chloro-4-methylphenyl)-1-(3-cyclopropyloxyphenyl)-N-methylmethanamine

C18H20ClNO — CID 106858802

IUPAC1-(2-chloro-4-methylphenyl)-1-(3-cyclopropyloxyphenyl)-N-methylmethanamine
SMILESCNC(c1cccc(OC2CC2)c1)c1ccc(C)cc1Cl
InChIInChI=1S/C18H20ClNO/c1-12-6-9-16(17(19)10-12)18(20-2)13-4-3-5-15(11-13)21-14-7-8-14/h3-6,9-11,14,18,20H,7-8H2,1-2H3
InChIKeyLEHVIRILQVJOJK-UHFFFAOYSA-N
MW301.82 g/mol
LogP4.50
Rot. Bonds5

About 1-(2-chloro-4-methylphenyl)-1-(3-cyclopropyloxyphenyl)-N-methylmethanamine

1-(2-chloro-4-methylphenyl)-1-(3-cyclopropyloxyphenyl)-N-methylmethanamine (PubChem CID 106858802) has the molecular formula C18H20ClNO and a molecular weight of 301.82 g/mol. Its IUPAC name is 1-(2-chloro-4-methylphenyl)-1-(3-cyclopropyloxyphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-chloro-4-methylphenyl)-1-(3-cyclopropyloxyphenyl)-N-methylmethanamine
PubChem CID106858802
Molecular FormulaC18H20ClNO
Molecular Weight301.82 g/mol
Exact Mass301.12
IUPAC Name1-(2-chloro-4-methylphenyl)-1-(3-cyclopropyloxyphenyl)-N-methylmethanamine
SMILESCNC(c1cccc(OC2CC2)c1)c1ccc(C)cc1Cl
InChIInChI=1S/C18H20ClNO/c1-12-6-9-16(17(19)10-12)18(20-2)13-4-3-5-15(11-13)21-14-7-8-14/h3-6,9-11,14,18,20H,7-8H2,1-2H3
InChIKeyLEHVIRILQVJOJK-UHFFFAOYSA-N
XLogP4.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-4-methylphenyl)-1-(3-chlorophenyl)-N-methylmethanamine
CID 106857074
1-(3-cyclopropyloxyphenyl)-N-methyl-1-(2-methyl-3-pyridinyl)methanamine
CID 105188536
[(3-cyclopropyloxyphenyl)-(2,5-dimethylphenyl)methyl]hydrazine
CID 105341115
1-(3-cyclopropyloxyphenyl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine
CID 114521568
1-(2-chloro-4-methylphenyl)-N-methyl-1-naphthalen-2-ylmethanamine
CID 106857455
1-(2-bromo-5-fluorophenyl)-1-(3-cyclopropyloxyphenyl)-N-methylmethanamine
CID 105051704
1-(3-cyclopropyloxyphenyl)-1-(3-methoxy-4-pyridinyl)-N-methylmethanamine
CID 105066138
1-(3-cyclopropyloxyphenyl)-1-(3-fluoro-4-pyridinyl)-N-methylmethanamine
CID 114522070
(3-cyclopropyloxyphenyl)-(2,4-dimethylphenyl)methanol
CID 114520837
1-(2-chloro-4-methylphenyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 106857539
1-(3-cyclopropyloxyphenyl)-N-methyl-1-(4-methyl-1,3-thiazol-5-yl)methanamine
CID 105188667
[(2-chloro-4-methylphenyl)-(3-methylphenyl)methyl]hydrazine
CID 106859691

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methylphenyl)-1-(3-cyclopropyloxyphenyl)-N-methylmethanamine?
The IUPAC name of 1-(2-chloro-4-methylphenyl)-1-(3-cyclopropyloxyphenyl)-N-methylmethanamine (CID 106858802) is 1-(2-chloro-4-methylphenyl)-1-(3-cyclopropyloxyphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-chloro-4-methylphenyl)-1-(3-cyclopropyloxyphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(2-chloro-4-methylphenyl)-1-(3-cyclopropyloxyphenyl)-N-methylmethanamine is CNC(c1cccc(OC2CC2)c1)c1ccc(C)cc1Cl.
What is the InChIKey of 1-(2-chloro-4-methylphenyl)-1-(3-cyclopropyloxyphenyl)-N-methylmethanamine?
The InChIKey is LEHVIRILQVJOJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO/c1-12-6-9-16(17(19)10-12)18(20-2)13-4-3-5-15(11-13)21-14-7-8-14/h3-6,9-11,14,18,20H,7-8H2,1-2H3.
What are the key properties of 1-(2-chloro-4-methylphenyl)-1-(3-cyclopropyloxyphenyl)-N-methylmethanamine?
1-(2-chloro-4-methylphenyl)-1-(3-cyclopropyloxyphenyl)-N-methylmethanamine has a molecular weight of 301.82 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-methylphenyl)-1-(3-cyclopropyloxyphenyl)-N-methylmethanamine is sourced from PubChem (CID 106858802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).