1-[2-[(3-chlorophenyl)methoxy]-5-methylphenyl]-N-ethylethanamine

C18H22ClNO — CID 63500464

IUPAC1-[2-[(3-chlorophenyl)methoxy]-5-methylphenyl]-N-ethylethanamine
SMILESCCNC(C)c1cc(C)ccc1OCc1cccc(Cl)c1
InChIInChI=1S/C18H22ClNO/c1-4-20-14(3)17-10-13(2)8-9-18(17)21-12-15-6-5-7-16(19)11-15/h5-11,14,20H,4,12H2,1-3H3
InChIKeyADWRQTMBVJUNOQ-UHFFFAOYSA-N
MW303.83 g/mol
LogP4.90
Rot. Bonds6

About 1-[2-[(3-chlorophenyl)methoxy]-5-methylphenyl]-N-ethylethanamine

1-[2-[(3-chlorophenyl)methoxy]-5-methylphenyl]-N-ethylethanamine (PubChem CID 63500464) has the molecular formula C18H22ClNO and a molecular weight of 303.83 g/mol. Its IUPAC name is 1-[2-[(3-chlorophenyl)methoxy]-5-methylphenyl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[2-[(3-chlorophenyl)methoxy]-5-methylphenyl]-N-ethylethanamine
PubChem CID63500464
Molecular FormulaC18H22ClNO
Molecular Weight303.83 g/mol
Exact Mass303.14
IUPAC Name1-[2-[(3-chlorophenyl)methoxy]-5-methylphenyl]-N-ethylethanamine
SMILESCCNC(C)c1cc(C)ccc1OCc1cccc(Cl)c1
InChIInChI=1S/C18H22ClNO/c1-4-20-14(3)17-10-13(2)8-9-18(17)21-12-15-6-5-7-16(19)11-15/h5-11,14,20H,4,12H2,1-3H3
InChIKeyADWRQTMBVJUNOQ-UHFFFAOYSA-N
XLogP4.90
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 ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[(3-bromophenyl)methoxy]-4-methylphenyl]-N-ethylethanamine
CID 63640634
N-ethyl-1-(4-methyl-2-phenylmethoxyphenyl)ethanamine
CID 63640314
(1S)-1-[2-[(3-chlorophenyl)methoxy]-4-methylphenyl]ethanamine
CID 78947420
1-[5-chloro-2-(thiophen-3-ylmethoxy)phenyl]-N-ethylethanamine
CID 55031304
1-[2-[(3-chlorophenyl)methoxy]-5-fluorophenyl]-N-methylethanamine
CID 65126033
N-ethyl-1-[2-[(2-fluorophenyl)methoxy]-5-methylphenyl]ethanamine
CID 43505172
1-[3-[(3-chlorophenyl)methoxy]phenyl]-N-ethylethanamine
CID 60881758
1-(2-butoxy-5-methylphenyl)-N-ethylethanamine
CID 43505150
(1R)-1-[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]ethanol
CID 63364382
N-ethyl-1-[2-[(4-methylphenyl)methoxy]phenyl]ethanamine
CID 43279645
N-ethyl-1-[2-(2-methoxyethoxy)-5-methylphenyl]ethanamine
CID 43505142
1-[5-chloro-2-[(3-methylphenyl)methoxy]phenyl]ethanol
CID 55031626

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-chlorophenyl)methoxy]-5-methylphenyl]-N-ethylethanamine?
The IUPAC name of 1-[2-[(3-chlorophenyl)methoxy]-5-methylphenyl]-N-ethylethanamine (CID 63500464) is 1-[2-[(3-chlorophenyl)methoxy]-5-methylphenyl]-N-ethylethanamine.
What is the SMILES notation for 1-[2-[(3-chlorophenyl)methoxy]-5-methylphenyl]-N-ethylethanamine?
The canonical SMILES for 1-[2-[(3-chlorophenyl)methoxy]-5-methylphenyl]-N-ethylethanamine is CCNC(C)c1cc(C)ccc1OCc1cccc(Cl)c1.
What is the InChIKey of 1-[2-[(3-chlorophenyl)methoxy]-5-methylphenyl]-N-ethylethanamine?
The InChIKey is ADWRQTMBVJUNOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO/c1-4-20-14(3)17-10-13(2)8-9-18(17)21-12-15-6-5-7-16(19)11-15/h5-11,14,20H,4,12H2,1-3H3.
What are the key properties of 1-[2-[(3-chlorophenyl)methoxy]-5-methylphenyl]-N-ethylethanamine?
1-[2-[(3-chlorophenyl)methoxy]-5-methylphenyl]-N-ethylethanamine has a molecular weight of 303.83 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-chlorophenyl)methoxy]-5-methylphenyl]-N-ethylethanamine is sourced from PubChem (CID 63500464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).