N-[(2-chlorophenyl)-(3-methoxyphenyl)methyl]ethanamine

C16H18ClNO — CID 61030140

IUPACN-[(2-chlorophenyl)-(3-methoxyphenyl)methyl]ethanamine
SMILESCCNC(c1cccc(OC)c1)c1ccccc1Cl
InChIInChI=1S/C16H18ClNO/c1-3-18-16(14-9-4-5-10-15(14)17)12-7-6-8-13(11-12)19-2/h4-11,16,18H,3H2,1-2H3
InChIKeyJSHPREBVAKYZKX-UHFFFAOYSA-N
MW275.78 g/mol
LogP4.05
Rot. Bonds5

About N-[(2-chlorophenyl)-(3-methoxyphenyl)methyl]ethanamine

N-[(2-chlorophenyl)-(3-methoxyphenyl)methyl]ethanamine (PubChem CID 61030140) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is N-[(2-chlorophenyl)-(3-methoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)-(3-methoxyphenyl)methyl]ethanamine
PubChem CID61030140
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC NameN-[(2-chlorophenyl)-(3-methoxyphenyl)methyl]ethanamine
SMILESCCNC(c1cccc(OC)c1)c1ccccc1Cl
InChIInChI=1S/C16H18ClNO/c1-3-18-16(14-9-4-5-10-15(14)17)12-7-6-8-13(11-12)19-2/h4-11,16,18H,3H2,1-2H3
InChIKeyJSHPREBVAKYZKX-UHFFFAOYSA-N
XLogP4.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-chloro-2-fluorophenyl)-(3-methoxyphenyl)methyl]ethanamine
CID 64712795
N-[(2-chloro-5-fluorophenyl)-(3-methoxyphenyl)methyl]ethanamine
CID 105394636
N-[(2-chloro-4,5-difluorophenyl)-(3-methoxyphenyl)methyl]ethanamine
CID 107476523
N-[(2-chlorophenyl)-(3-fluorophenyl)methyl]ethanamine
CID 61030250
N-[(2,5-dichlorothiophen-3-yl)-(3-methoxyphenyl)methyl]ethanamine
CID 43493094
N-[(3-methoxyphenyl)-(3-methylphenyl)methyl]ethanamine
CID 60797781
N-[(4-ethoxyphenyl)-(3-methoxyphenyl)methyl]ethanamine
CID 43489444
N-[(3-chlorothiophen-2-yl)-(3-methoxyphenyl)methyl]ethanamine
CID 80529194
N-[(2-bromofuran-3-yl)-(3-methoxyphenyl)methyl]ethanamine
CID 106856912
N-[(2-bromo-3-fluorophenyl)-(3-methoxyphenyl)methyl]ethanamine
CID 115786059
N-[(2,6-dichlorophenyl)-(3-methoxyphenyl)methyl]propan-1-amine
CID 115785453
N-[(2-chloro-4-methoxyphenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 43562040

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)-(3-methoxyphenyl)methyl]ethanamine?
The IUPAC name of N-[(2-chlorophenyl)-(3-methoxyphenyl)methyl]ethanamine (CID 61030140) is N-[(2-chlorophenyl)-(3-methoxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(2-chlorophenyl)-(3-methoxyphenyl)methyl]ethanamine?
The canonical SMILES for N-[(2-chlorophenyl)-(3-methoxyphenyl)methyl]ethanamine is CCNC(c1cccc(OC)c1)c1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)-(3-methoxyphenyl)methyl]ethanamine?
The InChIKey is JSHPREBVAKYZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO/c1-3-18-16(14-9-4-5-10-15(14)17)12-7-6-8-13(11-12)19-2/h4-11,16,18H,3H2,1-2H3.
What are the key properties of N-[(2-chlorophenyl)-(3-methoxyphenyl)methyl]ethanamine?
N-[(2-chlorophenyl)-(3-methoxyphenyl)methyl]ethanamine has a molecular weight of 275.78 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)-(3-methoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 61030140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).