2-(2-chloro-4-methylphenyl)-1-(3-propoxyphenyl)ethanamine

C18H22ClNO — CID 106866891

IUPAC2-(2-chloro-4-methylphenyl)-1-(3-propoxyphenyl)ethanamine
SMILESCCCOc1cccc(C(N)Cc2ccc(C)cc2Cl)c1
InChIInChI=1S/C18H22ClNO/c1-3-9-21-16-6-4-5-15(11-16)18(20)12-14-8-7-13(2)10-17(14)19/h4-8,10-11,18H,3,9,12,20H2,1-2H3
InChIKeyUWMMDOGXTHNSAV-UHFFFAOYSA-N
MW303.83 g/mol
LogP4.68
Rot. Bonds6

About 2-(2-chloro-4-methylphenyl)-1-(3-propoxyphenyl)ethanamine

2-(2-chloro-4-methylphenyl)-1-(3-propoxyphenyl)ethanamine (PubChem CID 106866891) has the molecular formula C18H22ClNO and a molecular weight of 303.83 g/mol. Its IUPAC name is 2-(2-chloro-4-methylphenyl)-1-(3-propoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(2-chloro-4-methylphenyl)-1-(3-propoxyphenyl)ethanamine
PubChem CID106866891
Molecular FormulaC18H22ClNO
Molecular Weight303.83 g/mol
Exact Mass303.14
IUPAC Name2-(2-chloro-4-methylphenyl)-1-(3-propoxyphenyl)ethanamine
SMILESCCCOc1cccc(C(N)Cc2ccc(C)cc2Cl)c1
InChIInChI=1S/C18H22ClNO/c1-3-9-21-16-6-4-5-15(11-16)18(20)12-14-8-7-13(2)10-17(14)19/h4-8,10-11,18H,3,9,12,20H2,1-2H3
InChIKeyUWMMDOGXTHNSAV-UHFFFAOYSA-N
XLogP4.68
TPSA35.25 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 ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dichlorophenyl)-1-(3-propoxyphenyl)ethanamine
CID 107311964
2-(2,6-dimethylphenyl)-1-(3-propoxyphenyl)ethanamine
CID 105024540
(1R)-1-(3-propoxyphenyl)ethane-1,2-diamine
CID 66516554
2-(2-chloro-4-methylphenyl)-1-(3,5-dimethylphenyl)ethanamine
CID 106866944
1-(3-propoxyphenyl)-2-pyridin-2-ylethanamine
CID 55131965
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-propoxyphenyl)ethanamine
CID 105019755
[2-(2-chloro-4-methylphenyl)-1-(3-methoxyphenyl)ethyl]hydrazine
CID 106868566
1-(2-chloro-4-methylphenyl)-4-phenoxybutan-2-ol
CID 106867236
2-(2-chloro-4-methylphenyl)-1-(2,6-dimethyl-4-pyridinyl)ethanamine
CID 107503151
2-(2,4-dichlorophenyl)-1-[3-(difluoromethoxy)phenyl]ethanamine
CID 115840311
2-(2-chloro-4-methylphenyl)-1-quinolin-6-ylethanamine
CID 106867176
2-(1-methylimidazol-2-yl)-1-(3-propoxyphenyl)ethanamine
CID 105011417

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-methylphenyl)-1-(3-propoxyphenyl)ethanamine?
The IUPAC name of 2-(2-chloro-4-methylphenyl)-1-(3-propoxyphenyl)ethanamine (CID 106866891) is 2-(2-chloro-4-methylphenyl)-1-(3-propoxyphenyl)ethanamine.
What is the SMILES notation for 2-(2-chloro-4-methylphenyl)-1-(3-propoxyphenyl)ethanamine?
The canonical SMILES for 2-(2-chloro-4-methylphenyl)-1-(3-propoxyphenyl)ethanamine is CCCOc1cccc(C(N)Cc2ccc(C)cc2Cl)c1.
What is the InChIKey of 2-(2-chloro-4-methylphenyl)-1-(3-propoxyphenyl)ethanamine?
The InChIKey is UWMMDOGXTHNSAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO/c1-3-9-21-16-6-4-5-15(11-16)18(20)12-14-8-7-13(2)10-17(14)19/h4-8,10-11,18H,3,9,12,20H2,1-2H3.
What are the key properties of 2-(2-chloro-4-methylphenyl)-1-(3-propoxyphenyl)ethanamine?
2-(2-chloro-4-methylphenyl)-1-(3-propoxyphenyl)ethanamine has a molecular weight of 303.83 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-methylphenyl)-1-(3-propoxyphenyl)ethanamine is sourced from PubChem (CID 106866891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).