N-[(3-chlorophenyl)methyl]-1-(2,5-dimethoxyphenyl)ethanamine

C17H20ClNO2 — CID 43224440

IUPACN-[(3-chlorophenyl)methyl]-1-(2,5-dimethoxyphenyl)ethanamine
SMILESCOc1ccc(OC)c(C(C)NCc2cccc(Cl)c2)c1
InChIInChI=1S/C17H20ClNO2/c1-12(19-11-13-5-4-6-14(18)9-13)16-10-15(20-2)7-8-17(16)21-3/h4-10,12,19H,11H2,1-3H3
InChIKeyFKJXBQZVYFPYIR-UHFFFAOYSA-N
MW305.81 g/mol
LogP4.21
Rot. Bonds6

About N-[(3-chlorophenyl)methyl]-1-(2,5-dimethoxyphenyl)ethanamine

N-[(3-chlorophenyl)methyl]-1-(2,5-dimethoxyphenyl)ethanamine (PubChem CID 43224440) has the molecular formula C17H20ClNO2 and a molecular weight of 305.81 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-1-(2,5-dimethoxyphenyl)ethanamine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-1-(2,5-dimethoxyphenyl)ethanamine
PubChem CID43224440
Molecular FormulaC17H20ClNO2
Molecular Weight305.81 g/mol
Exact Mass305.12
IUPAC NameN-[(3-chlorophenyl)methyl]-1-(2,5-dimethoxyphenyl)ethanamine
SMILESCOc1ccc(OC)c(C(C)NCc2cccc(Cl)c2)c1
InChIInChI=1S/C17H20ClNO2/c1-12(19-11-13-5-4-6-14(18)9-13)16-10-15(20-2)7-8-17(16)21-3/h4-10,12,19H,11H2,1-3H3
InChIKeyFKJXBQZVYFPYIR-UHFFFAOYSA-N
XLogP4.21
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-chloro-4-fluorophenyl)methyl]-1-(2,5-dimethoxyphenyl)ethanamine
CID 119165246
1-(2,5-dimethoxyphenyl)-N-(pyridin-3-ylmethyl)ethanamine
CID 43182272
(1R)-1-(3-chlorophenyl)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 28649459
(1S)-1-(3-chlorophenyl)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 28649457
(1S)-1-(2,5-dimethoxyphenyl)-N-[(2,4,6-trimethoxyphenyl)methyl]ethanamine
CID 9396251
N-[(3,5-dichlorophenyl)methyl]-1-(5-fluoro-2-methoxyphenyl)ethanamine
CID 60789929
1-(2,5-dimethoxyphenyl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine
CID 62994899
1-(2,5-dimethoxyphenyl)-N-[(3-iodo-5-methylphenyl)methyl]ethanamine
CID 170982893
1-(2-methoxy-5-methylphenyl)-N-[(4-methoxyphenyl)methyl]ethanamine
CID 43178128
N-[(3-chloro-4-methoxyphenyl)methyl]-1-(2-methoxyphenyl)ethanamine
CID 65022718
1-(2-chlorophenyl)-N-[(2,5-dimethoxyphenyl)methyl]ethanamine
CID 43080290
(1S)-N-[(3-chloro-4-methoxyphenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81354628

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-1-(2,5-dimethoxyphenyl)ethanamine?
The IUPAC name of N-[(3-chlorophenyl)methyl]-1-(2,5-dimethoxyphenyl)ethanamine (CID 43224440) is N-[(3-chlorophenyl)methyl]-1-(2,5-dimethoxyphenyl)ethanamine.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-1-(2,5-dimethoxyphenyl)ethanamine?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-1-(2,5-dimethoxyphenyl)ethanamine is COc1ccc(OC)c(C(C)NCc2cccc(Cl)c2)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-1-(2,5-dimethoxyphenyl)ethanamine?
The InChIKey is FKJXBQZVYFPYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO2/c1-12(19-11-13-5-4-6-14(18)9-13)16-10-15(20-2)7-8-17(16)21-3/h4-10,12,19H,11H2,1-3H3.
What are the key properties of N-[(3-chlorophenyl)methyl]-1-(2,5-dimethoxyphenyl)ethanamine?
N-[(3-chlorophenyl)methyl]-1-(2,5-dimethoxyphenyl)ethanamine has a molecular weight of 305.81 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-1-(2,5-dimethoxyphenyl)ethanamine is sourced from PubChem (CID 43224440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).