1-(3-chloro-4-methylphenyl)-N-methyl-1-(3-propoxyphenyl)methanamine

C18H22ClNO — CID 107561661

IUPAC1-(3-chloro-4-methylphenyl)-N-methyl-1-(3-propoxyphenyl)methanamine
SMILESCCCOc1cccc(C(NC)c2ccc(C)c(Cl)c2)c1
InChIInChI=1S/C18H22ClNO/c1-4-10-21-16-7-5-6-14(11-16)18(20-3)15-9-8-13(2)17(19)12-15/h5-9,11-12,18,20H,4,10H2,1-3H3
InChIKeyTUCNDUGDRZPLRT-UHFFFAOYSA-N
MW303.83 g/mol
LogP4.75
Rot. Bonds6

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

1-(3-chloro-4-methylphenyl)-N-methyl-1-(3-propoxyphenyl)methanamine (PubChem CID 107561661) has the molecular formula C18H22ClNO and a molecular weight of 303.83 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-N-methyl-1-(3-propoxyphenyl)methanamine.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-N-methyl-1-(3-propoxyphenyl)methanamine
PubChem CID107561661
Molecular FormulaC18H22ClNO
Molecular Weight303.83 g/mol
Exact Mass303.14
IUPAC Name1-(3-chloro-4-methylphenyl)-N-methyl-1-(3-propoxyphenyl)methanamine
SMILESCCCOc1cccc(C(NC)c2ccc(C)c(Cl)c2)c1
InChIInChI=1S/C18H22ClNO/c1-4-10-21-16-7-5-6-14(11-16)18(20-3)15-9-8-13(2)17(19)12-15/h5-9,11-12,18,20H,4,10H2,1-3H3
InChIKeyTUCNDUGDRZPLRT-UHFFFAOYSA-N
XLogP4.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.83
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-N-methyl-1-(3-propoxyphenyl)methanamine
CID 62919848
1-(4-fluoro-3-methylphenyl)-N-methyl-1-(3-propoxyphenyl)methanamine
CID 79723526
1-(3-chloro-4-methylphenyl)-N-methyl-1-(3-propylphenyl)methanamine
CID 105050563
1-(3-chlorophenyl)-N-methyl-1-(4-propoxyphenyl)methanamine
CID 62795601
N-methyl-1-(2-methylphenyl)-1-(3-propoxyphenyl)methanamine
CID 115794851
1-(4-chlorophenyl)-1-(3-ethoxyphenyl)-N-methylmethanamine
CID 60864424
1-(5-methoxy-3-pyridinyl)-N-methyl-1-(3-propoxyphenyl)methanamine
CID 105025977
N-methyl-1-(3-propoxyphenyl)propan-1-amine
CID 114979549
N-methyl-1-(3-propoxyphenyl)ethanamine
CID 43279892
(3-chloro-4-methylphenyl)-(3-ethoxyphenyl)methanamine
CID 105022224
1-(5-chloro-2-methylphenyl)-N-methyl-1-(4-propoxyphenyl)methanamine
CID 115853389
1-(3,4-dimethylphenyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine
CID 105026781

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-N-methyl-1-(3-propoxyphenyl)methanamine?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-N-methyl-1-(3-propoxyphenyl)methanamine (CID 107561661) is 1-(3-chloro-4-methylphenyl)-N-methyl-1-(3-propoxyphenyl)methanamine.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-N-methyl-1-(3-propoxyphenyl)methanamine?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-N-methyl-1-(3-propoxyphenyl)methanamine is CCCOc1cccc(C(NC)c2ccc(C)c(Cl)c2)c1.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-N-methyl-1-(3-propoxyphenyl)methanamine?
The InChIKey is TUCNDUGDRZPLRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO/c1-4-10-21-16-7-5-6-14(11-16)18(20-3)15-9-8-13(2)17(19)12-15/h5-9,11-12,18,20H,4,10H2,1-3H3.
What are the key properties of 1-(3-chloro-4-methylphenyl)-N-methyl-1-(3-propoxyphenyl)methanamine?
1-(3-chloro-4-methylphenyl)-N-methyl-1-(3-propoxyphenyl)methanamine has a molecular weight of 303.83 g/mol, XLogP of 4.75, 6 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)-N-methyl-1-(3-propoxyphenyl)methanamine is sourced from PubChem (CID 107561661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).