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

C17H20ClNO — CID 105035816

IUPAC(3-chloro-4-methylphenyl)-(2-propoxyphenyl)methanamine
SMILESCCCOc1ccccc1C(N)c1ccc(C)c(Cl)c1
InChIInChI=1S/C17H20ClNO/c1-3-10-20-16-7-5-4-6-14(16)17(19)13-9-8-12(2)15(18)11-13/h4-9,11,17H,3,10,19H2,1-2H3
InChIKeyIIUIHSQXOWQKJF-UHFFFAOYSA-N
MW289.81 g/mol
LogP4.49
Rot. Bonds5

About (3-chloro-4-methylphenyl)-(2-propoxyphenyl)methanamine

(3-chloro-4-methylphenyl)-(2-propoxyphenyl)methanamine (PubChem CID 105035816) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is (3-chloro-4-methylphenyl)-(2-propoxyphenyl)methanamine.

Molecular Properties

Compound Name(3-chloro-4-methylphenyl)-(2-propoxyphenyl)methanamine
PubChem CID105035816
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC Name(3-chloro-4-methylphenyl)-(2-propoxyphenyl)methanamine
SMILESCCCOc1ccccc1C(N)c1ccc(C)c(Cl)c1
InChIInChI=1S/C17H20ClNO/c1-3-10-20-16-7-5-4-6-14(16)17(19)13-9-8-12(2)15(18)11-13/h4-9,11,17H,3,10,19H2,1-2H3
InChIKeyIIUIHSQXOWQKJF-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

(5-fluoro-2-methylphenyl)-(2-propoxyphenyl)methanamine
CID 104660036
(4-fluoro-3-methoxyphenyl)-(2-propoxyphenyl)methanamine
CID 105035771
(5-bromo-2-methylphenyl)-(2-propoxyphenyl)methanamine
CID 105036006
(4-bromo-3-chlorophenyl)-[2-(2-methoxyethoxy)phenyl]methanamine
CID 105035320
1,3-dihydro-2-benzofuran-5-yl-(2-propoxyphenyl)methanamine
CID 105035897
(5-methyl-3-pyridinyl)-(2-propoxyphenyl)methanamine
CID 105180812
(3-chloro-4-methylthiophen-2-yl)-(2-propoxyphenyl)methanamine
CID 103407260
(4,5-dimethylthiophen-2-yl)-(2-propoxyphenyl)methanamine
CID 105035938
(3-chloro-4-methylphenyl)-(3-ethoxyphenyl)methanamine
CID 105022224
(5-bromo-4-methylthiophen-2-yl)-(2-propoxyphenyl)methanamine
CID 105035965
(2-ethylphenyl)-(2-propoxyphenyl)methanamine
CID 105035937
(3-chloro-4-methylphenyl)-(4-propoxyphenyl)methanol
CID 115795362

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methylphenyl)-(2-propoxyphenyl)methanamine?
The IUPAC name of (3-chloro-4-methylphenyl)-(2-propoxyphenyl)methanamine (CID 105035816) is (3-chloro-4-methylphenyl)-(2-propoxyphenyl)methanamine.
What is the SMILES notation for (3-chloro-4-methylphenyl)-(2-propoxyphenyl)methanamine?
The canonical SMILES for (3-chloro-4-methylphenyl)-(2-propoxyphenyl)methanamine is CCCOc1ccccc1C(N)c1ccc(C)c(Cl)c1.
What is the InChIKey of (3-chloro-4-methylphenyl)-(2-propoxyphenyl)methanamine?
The InChIKey is IIUIHSQXOWQKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO/c1-3-10-20-16-7-5-4-6-14(16)17(19)13-9-8-12(2)15(18)11-13/h4-9,11,17H,3,10,19H2,1-2H3.
What are the key properties of (3-chloro-4-methylphenyl)-(2-propoxyphenyl)methanamine?
(3-chloro-4-methylphenyl)-(2-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 (3-chloro-4-methylphenyl)-(2-propoxyphenyl)methanamine is sourced from PubChem (CID 105035816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).