1-[2-[(3-chlorophenyl)methoxy]-3-methylphenyl]propan-2-amine

C17H20ClNO — CID 115958087

IUPAC1-[2-[(3-chlorophenyl)methoxy]-3-methylphenyl]propan-2-amine
SMILESCc1cccc(CC(C)N)c1OCc1cccc(Cl)c1
InChIInChI=1S/C17H20ClNO/c1-12-5-3-7-15(9-13(2)19)17(12)20-11-14-6-4-8-16(18)10-14/h3-8,10,13H,9,11,19H2,1-2H3
InChIKeyGJKPNVYNYIXZBH-UHFFFAOYSA-N
MW289.81 g/mol
LogP4.12
Rot. Bonds5

About 1-[2-[(3-chlorophenyl)methoxy]-3-methylphenyl]propan-2-amine

1-[2-[(3-chlorophenyl)methoxy]-3-methylphenyl]propan-2-amine (PubChem CID 115958087) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is 1-[2-[(3-chlorophenyl)methoxy]-3-methylphenyl]propan-2-amine.

Molecular Properties

Compound Name1-[2-[(3-chlorophenyl)methoxy]-3-methylphenyl]propan-2-amine
PubChem CID115958087
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC Name1-[2-[(3-chlorophenyl)methoxy]-3-methylphenyl]propan-2-amine
SMILESCc1cccc(CC(C)N)c1OCc1cccc(Cl)c1
InChIInChI=1S/C17H20ClNO/c1-12-5-3-7-15(9-13(2)19)17(12)20-11-14-6-4-8-16(18)10-14/h3-8,10,13H,9,11,19H2,1-2H3
InChIKeyGJKPNVYNYIXZBH-UHFFFAOYSA-N
XLogP4.12
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[(2-chloro-6-fluorophenyl)methoxy]-3-methylphenyl]propan-2-amine
CID 115958056
1-[2-[(2,3-difluorophenyl)methoxy]-3-methylphenyl]propan-2-amine
CID 115958090
1-[3-methyl-2-(3-phenylpropoxy)phenyl]propan-2-amine
CID 115958003
1-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]propan-2-amine
CID 60906569
1-[3-methyl-2-(pyridin-2-ylmethoxy)phenyl]propan-2-amine
CID 112615409
1-(2-methoxy-3-methylphenyl)propan-2-amine
CID 3029797
1-[2-[(3-bromophenyl)methoxy]-3-methylphenyl]butan-2-amine
CID 115958219
1-[2-[(4-bromothiophen-2-yl)methoxy]-3-methylphenyl]propan-2-amine
CID 112615348
1-[2-[(4-chloro-2-fluorophenyl)methoxy]-3-fluorophenyl]propan-2-amine
CID 114857545
1-[3-methyl-2-(1,2-oxazol-5-ylmethoxy)phenyl]propan-2-amine
CID 112615436
1-(3-methyl-2-pentoxyphenyl)propan-2-amine
CID 112615361
4-[4-[(3-chlorophenyl)methoxy]phenyl]butan-2-amine
CID 15059553

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-chlorophenyl)methoxy]-3-methylphenyl]propan-2-amine?
The IUPAC name of 1-[2-[(3-chlorophenyl)methoxy]-3-methylphenyl]propan-2-amine (CID 115958087) is 1-[2-[(3-chlorophenyl)methoxy]-3-methylphenyl]propan-2-amine.
What is the SMILES notation for 1-[2-[(3-chlorophenyl)methoxy]-3-methylphenyl]propan-2-amine?
The canonical SMILES for 1-[2-[(3-chlorophenyl)methoxy]-3-methylphenyl]propan-2-amine is Cc1cccc(CC(C)N)c1OCc1cccc(Cl)c1.
What is the InChIKey of 1-[2-[(3-chlorophenyl)methoxy]-3-methylphenyl]propan-2-amine?
The InChIKey is GJKPNVYNYIXZBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO/c1-12-5-3-7-15(9-13(2)19)17(12)20-11-14-6-4-8-16(18)10-14/h3-8,10,13H,9,11,19H2,1-2H3.
What are the key properties of 1-[2-[(3-chlorophenyl)methoxy]-3-methylphenyl]propan-2-amine?
1-[2-[(3-chlorophenyl)methoxy]-3-methylphenyl]propan-2-amine has a molecular weight of 289.81 g/mol, XLogP of 4.12, 5 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]-3-methylphenyl]propan-2-amine is sourced from PubChem (CID 115958087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).