N-[(5-chloro-2-methoxyphenyl)-(4-ethylphenyl)methyl]ethanamine

C18H22ClNO — CID 43491448

IUPACN-[(5-chloro-2-methoxyphenyl)-(4-ethylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(CC)cc1)c1cc(Cl)ccc1OC
InChIInChI=1S/C18H22ClNO/c1-4-13-6-8-14(9-7-13)18(20-5-2)16-12-15(19)10-11-17(16)21-3/h6-12,18,20H,4-5H2,1-3H3
InChIKeyJHSFZMHHVKHMKU-UHFFFAOYSA-N
MW303.83 g/mol
LogP4.61
Rot. Bonds6

About N-[(5-chloro-2-methoxyphenyl)-(4-ethylphenyl)methyl]ethanamine

N-[(5-chloro-2-methoxyphenyl)-(4-ethylphenyl)methyl]ethanamine (PubChem CID 43491448) has the molecular formula C18H22ClNO and a molecular weight of 303.83 g/mol. Its IUPAC name is N-[(5-chloro-2-methoxyphenyl)-(4-ethylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-chloro-2-methoxyphenyl)-(4-ethylphenyl)methyl]ethanamine
PubChem CID43491448
Molecular FormulaC18H22ClNO
Molecular Weight303.83 g/mol
Exact Mass303.14
IUPAC NameN-[(5-chloro-2-methoxyphenyl)-(4-ethylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(CC)cc1)c1cc(Cl)ccc1OC
InChIInChI=1S/C18H22ClNO/c1-4-13-6-8-14(9-7-13)18(20-5-2)16-12-15(19)10-11-17(16)21-3/h6-12,18,20H,4-5H2,1-3H3
InChIKeyJHSFZMHHVKHMKU-UHFFFAOYSA-N
XLogP4.61
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 ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-chloro-2-methoxyphenyl)-(4-methylphenyl)methyl]ethanamine
CID 43489321
N-[(2,5-dichlorophenyl)-(2-methoxy-5-methylphenyl)methyl]ethanamine
CID 43626308
N-[(5-chloro-2-methoxyphenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 115854831
N-[(5-chloro-2-methoxyphenyl)-(2,6-dichlorophenyl)methyl]ethanamine
CID 104546028
N-[(5-chloro-2-methoxyphenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 43492434
N-[(2-chlorofuran-3-yl)-(5-chloro-2-methoxyphenyl)methyl]ethanamine
CID 106684605
N-[(2,4-dichlorophenyl)-(4-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 81288457
N-[(2-bromo-4-chlorophenyl)-(3-chloro-4-methoxyphenyl)methyl]ethanamine
CID 107987395
1-(5-chloro-2-methoxyphenyl)-1-(4-chlorophenyl)-N-methylmethanamine
CID 43481413
N-[(5-chloro-2-methoxyphenyl)-(cyclohexen-1-yl)methyl]ethanamine
CID 62079394
N-[(4-bromo-2-methoxyphenyl)-(4-chlorophenyl)methyl]ethanamine
CID 115368913
N-[(4-chlorophenyl)-(2-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 82807477

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-methoxyphenyl)-(4-ethylphenyl)methyl]ethanamine?
The IUPAC name of N-[(5-chloro-2-methoxyphenyl)-(4-ethylphenyl)methyl]ethanamine (CID 43491448) is N-[(5-chloro-2-methoxyphenyl)-(4-ethylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(5-chloro-2-methoxyphenyl)-(4-ethylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(5-chloro-2-methoxyphenyl)-(4-ethylphenyl)methyl]ethanamine is CCNC(c1ccc(CC)cc1)c1cc(Cl)ccc1OC.
What is the InChIKey of N-[(5-chloro-2-methoxyphenyl)-(4-ethylphenyl)methyl]ethanamine?
The InChIKey is JHSFZMHHVKHMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO/c1-4-13-6-8-14(9-7-13)18(20-5-2)16-12-15(19)10-11-17(16)21-3/h6-12,18,20H,4-5H2,1-3H3.
What are the key properties of N-[(5-chloro-2-methoxyphenyl)-(4-ethylphenyl)methyl]ethanamine?
N-[(5-chloro-2-methoxyphenyl)-(4-ethylphenyl)methyl]ethanamine has a molecular weight of 303.83 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-methoxyphenyl)-(4-ethylphenyl)methyl]ethanamine is sourced from PubChem (CID 43491448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).