N-[(5-chloro-2-methylphenyl)-(4-ethoxyphenyl)methyl]ethanamine

C18H22ClNO — CID 82870796

IUPACN-[(5-chloro-2-methylphenyl)-(4-ethoxyphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(OCC)cc1)c1cc(Cl)ccc1C
InChIInChI=1S/C18H22ClNO/c1-4-20-18(17-12-15(19)9-6-13(17)3)14-7-10-16(11-8-14)21-5-2/h6-12,18,20H,4-5H2,1-3H3
InChIKeyZHYVHGUGSRAKPX-UHFFFAOYSA-N
MW303.83 g/mol
LogP4.75
Rot. Bonds6

About N-[(5-chloro-2-methylphenyl)-(4-ethoxyphenyl)methyl]ethanamine

N-[(5-chloro-2-methylphenyl)-(4-ethoxyphenyl)methyl]ethanamine (PubChem CID 82870796) has the molecular formula C18H22ClNO and a molecular weight of 303.83 g/mol. Its IUPAC name is N-[(5-chloro-2-methylphenyl)-(4-ethoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-chloro-2-methylphenyl)-(4-ethoxyphenyl)methyl]ethanamine
PubChem CID82870796
Molecular FormulaC18H22ClNO
Molecular Weight303.83 g/mol
Exact Mass303.14
IUPAC NameN-[(5-chloro-2-methylphenyl)-(4-ethoxyphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(OCC)cc1)c1cc(Cl)ccc1C
InChIInChI=1S/C18H22ClNO/c1-4-20-18(17-12-15(19)9-6-13(17)3)14-7-10-16(11-8-14)21-5-2/h6-12,18,20H,4-5H2,1-3H3
InChIKeyZHYVHGUGSRAKPX-UHFFFAOYSA-N
XLogP4.75
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 ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-chloro-2-methylphenyl)-(4-propan-2-ylphenyl)methyl]ethanamine
CID 82870566
N-[(5-chloro-2-methylphenyl)-(4-methylphenyl)methyl]ethanamine
CID 82884123
N-[(5-chloro-2-methylphenyl)-phenylmethyl]ethanamine
CID 82883967
N-[(4-ethoxyphenyl)-(3-fluoro-4-methylphenyl)methyl]ethanamine
CID 43489450
1-(5-chloro-2-methylphenyl)-N-methyl-1-(4-propoxyphenyl)methanamine
CID 115853389
N-[(4-chloro-2,5-dimethylphenyl)-(5-chloro-2-methylphenyl)methyl]ethanamine
CID 82870807
N-[(5-chloro-2-methylphenyl)-(4-methylphenyl)methyl]propan-1-amine
CID 82883365
N-[(5-chloro-2-methylphenyl)-(5-methylfuran-2-yl)methyl]ethanamine
CID 82883211
N-[(3-chloro-4-methylphenyl)-(2,4-dichlorophenyl)methyl]ethanamine
CID 63502248
N-[(2,4-dichlorophenyl)-(3,4-dimethylphenyl)methyl]ethanamine
CID 43487938
N-[(5-bromo-2-fluorophenyl)-(4-ethoxyphenyl)methyl]ethanamine
CID 43489424
N-[(5-chloro-2-methylphenyl)-(4-ethylphenyl)methyl]propan-1-amine
CID 82871484

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-methylphenyl)-(4-ethoxyphenyl)methyl]ethanamine?
The IUPAC name of N-[(5-chloro-2-methylphenyl)-(4-ethoxyphenyl)methyl]ethanamine (CID 82870796) is N-[(5-chloro-2-methylphenyl)-(4-ethoxyphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(5-chloro-2-methylphenyl)-(4-ethoxyphenyl)methyl]ethanamine?
The canonical SMILES for N-[(5-chloro-2-methylphenyl)-(4-ethoxyphenyl)methyl]ethanamine is CCNC(c1ccc(OCC)cc1)c1cc(Cl)ccc1C.
What is the InChIKey of N-[(5-chloro-2-methylphenyl)-(4-ethoxyphenyl)methyl]ethanamine?
The InChIKey is ZHYVHGUGSRAKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO/c1-4-20-18(17-12-15(19)9-6-13(17)3)14-7-10-16(11-8-14)21-5-2/h6-12,18,20H,4-5H2,1-3H3.
What are the key properties of N-[(5-chloro-2-methylphenyl)-(4-ethoxyphenyl)methyl]ethanamine?
N-[(5-chloro-2-methylphenyl)-(4-ethoxyphenyl)methyl]ethanamine has a molecular weight of 303.83 g/mol, XLogP of 4.75, 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-methylphenyl)-(4-ethoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 82870796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).