N-[(3-chloro-4-ethoxyphenyl)methyl]-1-(4-methylphenyl)methanamine

C17H20ClNO — CID 17158567

IUPACN-[(3-chloro-4-ethoxyphenyl)methyl]-1-(4-methylphenyl)methanamine
SMILESCCOc1ccc(CNCc2ccc(C)cc2)cc1Cl
InChIInChI=1S/C17H20ClNO/c1-3-20-17-9-8-15(10-16(17)18)12-19-11-14-6-4-13(2)5-7-14/h4-10,19H,3,11-12H2,1-2H3
InChIKeyYOFBPOAGWIAWQA-UHFFFAOYSA-N
MW289.81 g/mol
LogP4.34
Rot. Bonds6

About N-[(3-chloro-4-ethoxyphenyl)methyl]-1-(4-methylphenyl)methanamine

N-[(3-chloro-4-ethoxyphenyl)methyl]-1-(4-methylphenyl)methanamine (PubChem CID 17158567) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is N-[(3-chloro-4-ethoxyphenyl)methyl]-1-(4-methylphenyl)methanamine.

Molecular Properties

Compound NameN-[(3-chloro-4-ethoxyphenyl)methyl]-1-(4-methylphenyl)methanamine
PubChem CID17158567
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC NameN-[(3-chloro-4-ethoxyphenyl)methyl]-1-(4-methylphenyl)methanamine
SMILESCCOc1ccc(CNCc2ccc(C)cc2)cc1Cl
InChIInChI=1S/C17H20ClNO/c1-3-20-17-9-8-15(10-16(17)18)12-19-11-14-6-4-13(2)5-7-14/h4-10,19H,3,11-12H2,1-2H3
InChIKeyYOFBPOAGWIAWQA-UHFFFAOYSA-N
XLogP4.34
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 ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-chloro-5-ethoxy-4-methoxyphenyl)methyl]-1-(4-methylphenyl)methanamine;hydrochloride
CID 17332519
N-[(3-chloro-4-ethoxyphenyl)methyl]prop-2-en-1-amine
CID 17157875
N-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-1-(4-methylphenyl)methanamine
CID 4723990
N-[(3-chloro-4-ethoxyphenyl)methyl]-2-methylpropan-2-amine;hydrochloride
CID 17156923
4-[(3-chloro-4-ethoxyphenyl)methylamino]butanoic acid
CID 102536590
N-[[3-chloro-4-[(4-methylphenyl)methoxy]phenyl]methyl]-4-ethoxyaniline
CID 126118107
N-[(3-chloro-4-ethoxyphenyl)methyl]carbamoyl chloride
CID 115194640
N-[[3-chloro-4-(2-chloro-4-methylphenoxy)phenyl]methyl]propan-1-amine
CID 81151267
N-[[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-1-(4-methoxyphenyl)methanamine;hydrochloride
CID 17055041
N-[(2-ethoxyphenyl)methyl]-1-(4-methylphenyl)methanamine;hydrochloride
CID 6462036
N-[(3-chloro-4-ethoxyphenyl)methyl]-2-hydroxyacetamide
CID 115139828
N-[(3-chloro-4-ethoxyphenyl)methyl]-2,4,4-trimethylpentan-2-amine;hydrochloride
CID 17158461

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-ethoxyphenyl)methyl]-1-(4-methylphenyl)methanamine?
The IUPAC name of N-[(3-chloro-4-ethoxyphenyl)methyl]-1-(4-methylphenyl)methanamine (CID 17158567) is N-[(3-chloro-4-ethoxyphenyl)methyl]-1-(4-methylphenyl)methanamine.
What is the SMILES notation for N-[(3-chloro-4-ethoxyphenyl)methyl]-1-(4-methylphenyl)methanamine?
The canonical SMILES for N-[(3-chloro-4-ethoxyphenyl)methyl]-1-(4-methylphenyl)methanamine is CCOc1ccc(CNCc2ccc(C)cc2)cc1Cl.
What is the InChIKey of N-[(3-chloro-4-ethoxyphenyl)methyl]-1-(4-methylphenyl)methanamine?
The InChIKey is YOFBPOAGWIAWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO/c1-3-20-17-9-8-15(10-16(17)18)12-19-11-14-6-4-13(2)5-7-14/h4-10,19H,3,11-12H2,1-2H3.
What are the key properties of N-[(3-chloro-4-ethoxyphenyl)methyl]-1-(4-methylphenyl)methanamine?
N-[(3-chloro-4-ethoxyphenyl)methyl]-1-(4-methylphenyl)methanamine has a molecular weight of 289.81 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-ethoxyphenyl)methyl]-1-(4-methylphenyl)methanamine is sourced from PubChem (CID 17158567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).