1-(4-chlorophenyl)-N-methyl-1-(3-propoxyphenyl)methanamine

C17H20ClNO — CID 62919848

IUPAC1-(4-chlorophenyl)-N-methyl-1-(3-propoxyphenyl)methanamine
SMILESCCCOc1cccc(C(NC)c2ccc(Cl)cc2)c1
InChIInChI=1S/C17H20ClNO/c1-3-11-20-16-6-4-5-14(12-16)17(19-2)13-7-9-15(18)10-8-13/h4-10,12,17,19H,3,11H2,1-2H3
InChIKeyGUZRDSXEBVXJTG-UHFFFAOYSA-N
MW289.81 g/mol
LogP4.44
Rot. Bonds6

About 1-(4-chlorophenyl)-N-methyl-1-(3-propoxyphenyl)methanamine

1-(4-chlorophenyl)-N-methyl-1-(3-propoxyphenyl)methanamine (PubChem CID 62919848) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-methyl-1-(3-propoxyphenyl)methanamine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-methyl-1-(3-propoxyphenyl)methanamine
PubChem CID62919848
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC Name1-(4-chlorophenyl)-N-methyl-1-(3-propoxyphenyl)methanamine
SMILESCCCOc1cccc(C(NC)c2ccc(Cl)cc2)c1
InChIInChI=1S/C17H20ClNO/c1-3-11-20-16-6-4-5-14(12-16)17(19-2)13-7-9-15(18)10-8-13/h4-10,12,17,19H,3,11H2,1-2H3
InChIKeyGUZRDSXEBVXJTG-UHFFFAOYSA-N
XLogP4.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-1-(3-ethoxyphenyl)-N-methylmethanamine
CID 60864424
1-(3-chloro-4-methylphenyl)-N-methyl-1-(3-propoxyphenyl)methanamine
CID 107561661
1-(3-chlorophenyl)-N-methyl-1-(4-propoxyphenyl)methanamine
CID 62795601
1-(4-fluoro-3-methylphenyl)-N-methyl-1-(3-propoxyphenyl)methanamine
CID 79723526
1-(4-chloro-3-fluorophenyl)-N-methyl-1-(4-propoxyphenyl)methanamine
CID 107993035
1-(5-methoxy-3-pyridinyl)-N-methyl-1-(3-propoxyphenyl)methanamine
CID 105025977
N-methyl-1-(2-methylphenyl)-1-(3-propoxyphenyl)methanamine
CID 115794851
N-methyl-1-(3-propoxyphenyl)propan-1-amine
CID 114979549
N-methyl-1-(3-propoxyphenyl)ethanamine
CID 43279892
N-[phenyl-(3-propoxyphenyl)methyl]ethanamine
CID 62920706
1-(5-ethylfuran-2-yl)-N-methyl-1-(3-propoxyphenyl)methanamine
CID 62920362
[(2-chlorophenyl)-(3-propoxyphenyl)methyl]hydrazine
CID 105287434

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-methyl-1-(3-propoxyphenyl)methanamine?
The IUPAC name of 1-(4-chlorophenyl)-N-methyl-1-(3-propoxyphenyl)methanamine (CID 62919848) is 1-(4-chlorophenyl)-N-methyl-1-(3-propoxyphenyl)methanamine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-methyl-1-(3-propoxyphenyl)methanamine?
The canonical SMILES for 1-(4-chlorophenyl)-N-methyl-1-(3-propoxyphenyl)methanamine is CCCOc1cccc(C(NC)c2ccc(Cl)cc2)c1.
What is the InChIKey of 1-(4-chlorophenyl)-N-methyl-1-(3-propoxyphenyl)methanamine?
The InChIKey is GUZRDSXEBVXJTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO/c1-3-11-20-16-6-4-5-14(12-16)17(19-2)13-7-9-15(18)10-8-13/h4-10,12,17,19H,3,11H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-N-methyl-1-(3-propoxyphenyl)methanamine?
1-(4-chlorophenyl)-N-methyl-1-(3-propoxyphenyl)methanamine has a molecular weight of 289.81 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-methyl-1-(3-propoxyphenyl)methanamine is sourced from PubChem (CID 62919848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).