(5-chloro-2-methylphenyl)-(4-propoxyphenyl)methanamine

C17H20ClNO — CID 115853390

IUPAC(5-chloro-2-methylphenyl)-(4-propoxyphenyl)methanamine
SMILESCCCOc1ccc(C(N)c2cc(Cl)ccc2C)cc1
InChIInChI=1S/C17H20ClNO/c1-3-10-20-15-8-5-13(6-9-15)17(19)16-11-14(18)7-4-12(16)2/h4-9,11,17H,3,10,19H2,1-2H3
InChIKeyGSZGOPKCRZYXJU-UHFFFAOYSA-N
MW289.81 g/mol
LogP4.49
Rot. Bonds5

About (5-chloro-2-methylphenyl)-(4-propoxyphenyl)methanamine

(5-chloro-2-methylphenyl)-(4-propoxyphenyl)methanamine (PubChem CID 115853390) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is (5-chloro-2-methylphenyl)-(4-propoxyphenyl)methanamine.

Molecular Properties

Compound Name(5-chloro-2-methylphenyl)-(4-propoxyphenyl)methanamine
PubChem CID115853390
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC Name(5-chloro-2-methylphenyl)-(4-propoxyphenyl)methanamine
SMILESCCCOc1ccc(C(N)c2cc(Cl)ccc2C)cc1
InChIInChI=1S/C17H20ClNO/c1-3-10-20-15-8-5-13(6-9-15)17(19)16-11-14(18)7-4-12(16)2/h4-9,11,17H,3,10,19H2,1-2H3
InChIKeyGSZGOPKCRZYXJU-UHFFFAOYSA-N
XLogP4.49
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 ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-2-methylphenyl)-N-methyl-1-(4-propoxyphenyl)methanamine
CID 115853389
(5-chloro-2-methylphenyl)-(4-methoxyphenyl)methanamine
CID 79016093
(5-chloro-2-methylphenyl)-(4-chlorophenyl)methanamine
CID 79016195
(4-fluoro-3-methylphenyl)-(4-propoxyphenyl)methanamine
CID 62795607
(4-butoxyphenyl)-(4-chlorophenyl)methanamine
CID 105076576
(3,4-difluorophenyl)-(4-propoxyphenyl)methanamine
CID 62796286
(4-butoxyphenyl)-(2-methylphenyl)methanamine
CID 105094897
(3,5-dimethylphenyl)-(4-propoxyphenyl)methanamine
CID 115853243
(4-methoxyphenyl)-(4-propoxyphenyl)methanamine
CID 62796455
N-[(5-chloro-2-methylphenyl)-(4-ethoxyphenyl)methyl]ethanamine
CID 82870796
(4-chloro-2-fluorophenyl)-(4-propoxyphenyl)methanol
CID 63082099
(3-chloro-4-methylphenyl)-(4-propoxyphenyl)methanol
CID 115795362

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methylphenyl)-(4-propoxyphenyl)methanamine?
The IUPAC name of (5-chloro-2-methylphenyl)-(4-propoxyphenyl)methanamine (CID 115853390) is (5-chloro-2-methylphenyl)-(4-propoxyphenyl)methanamine.
What is the SMILES notation for (5-chloro-2-methylphenyl)-(4-propoxyphenyl)methanamine?
The canonical SMILES for (5-chloro-2-methylphenyl)-(4-propoxyphenyl)methanamine is CCCOc1ccc(C(N)c2cc(Cl)ccc2C)cc1.
What is the InChIKey of (5-chloro-2-methylphenyl)-(4-propoxyphenyl)methanamine?
The InChIKey is GSZGOPKCRZYXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO/c1-3-10-20-15-8-5-13(6-9-15)17(19)16-11-14(18)7-4-12(16)2/h4-9,11,17H,3,10,19H2,1-2H3.
What are the key properties of (5-chloro-2-methylphenyl)-(4-propoxyphenyl)methanamine?
(5-chloro-2-methylphenyl)-(4-propoxyphenyl)methanamine has a molecular weight of 289.81 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methylphenyl)-(4-propoxyphenyl)methanamine is sourced from PubChem (CID 115853390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).