1-[4-(4-chloro-3-methylphenoxy)-3-methylphenyl]propan-2-amine

C17H20ClNO — CID 63816442

IUPAC1-[4-(4-chloro-3-methylphenoxy)-3-methylphenyl]propan-2-amine
SMILESCc1cc(Oc2ccc(CC(C)N)cc2C)ccc1Cl
InChIInChI=1S/C17H20ClNO/c1-11-9-15(5-6-16(11)18)20-17-7-4-14(8-12(17)2)10-13(3)19/h4-9,13H,10,19H2,1-3H3
InChIKeyTYKUGZKEKDMDQJ-UHFFFAOYSA-N
MW289.81 g/mol
LogP4.64
Rot. Bonds4

About 1-[4-(4-chloro-3-methylphenoxy)-3-methylphenyl]propan-2-amine

1-[4-(4-chloro-3-methylphenoxy)-3-methylphenyl]propan-2-amine (PubChem CID 63816442) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is 1-[4-(4-chloro-3-methylphenoxy)-3-methylphenyl]propan-2-amine.

Molecular Properties

Compound Name1-[4-(4-chloro-3-methylphenoxy)-3-methylphenyl]propan-2-amine
PubChem CID63816442
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC Name1-[4-(4-chloro-3-methylphenoxy)-3-methylphenyl]propan-2-amine
SMILESCc1cc(Oc2ccc(CC(C)N)cc2C)ccc1Cl
InChIInChI=1S/C17H20ClNO/c1-11-9-15(5-6-16(11)18)20-17-7-4-14(8-12(17)2)10-13(3)19/h4-9,13H,10,19H2,1-3H3
InChIKeyTYKUGZKEKDMDQJ-UHFFFAOYSA-N
XLogP4.64
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(4-chloro-3,5-dimethylphenoxy)-3-methylphenyl]propan-2-amine
CID 63803663
1-[3-chloro-4-(3,4-dimethylphenoxy)phenyl]propan-2-amine
CID 81166108
1-(4-chloro-3-methylphenyl)propan-2-amine;ethane
CID 143509041
1-[4-(4-ethylphenoxy)-3-methylphenyl]propan-2-amine
CID 63817540
1-[3-methyl-4-(2,4,5-trichlorophenoxy)phenyl]propan-2-amine
CID 63816275
1-[4-(3-ethylphenoxy)-3-methylphenyl]propan-2-amine
CID 63815930
1-[6-(4-chloro-3-methylphenoxy)-3-pyridinyl]propan-2-amine
CID 80640424
1-[4-(4-bromo-2,5-dichlorophenoxy)-3-methylphenyl]propan-2-amine
CID 107661694
1-[4-(4-chloro-3-methylphenoxy)-3-fluorophenyl]butan-2-amine
CID 63815583
1-[4-(3-bromo-5-fluorophenoxy)-3-methylphenyl]propan-2-amine
CID 81326022
4-(bromomethyl)-2-chloro-1-(4-chloro-3-methylphenoxy)benzene
CID 107086354
1-[4-(2-methylphenoxy)phenyl]propan-2-amine
CID 63803790

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chloro-3-methylphenoxy)-3-methylphenyl]propan-2-amine?
The IUPAC name of 1-[4-(4-chloro-3-methylphenoxy)-3-methylphenyl]propan-2-amine (CID 63816442) is 1-[4-(4-chloro-3-methylphenoxy)-3-methylphenyl]propan-2-amine.
What is the SMILES notation for 1-[4-(4-chloro-3-methylphenoxy)-3-methylphenyl]propan-2-amine?
The canonical SMILES for 1-[4-(4-chloro-3-methylphenoxy)-3-methylphenyl]propan-2-amine is Cc1cc(Oc2ccc(CC(C)N)cc2C)ccc1Cl.
What is the InChIKey of 1-[4-(4-chloro-3-methylphenoxy)-3-methylphenyl]propan-2-amine?
The InChIKey is TYKUGZKEKDMDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO/c1-11-9-15(5-6-16(11)18)20-17-7-4-14(8-12(17)2)10-13(3)19/h4-9,13H,10,19H2,1-3H3.
What are the key properties of 1-[4-(4-chloro-3-methylphenoxy)-3-methylphenyl]propan-2-amine?
1-[4-(4-chloro-3-methylphenoxy)-3-methylphenyl]propan-2-amine has a molecular weight of 289.81 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chloro-3-methylphenoxy)-3-methylphenyl]propan-2-amine is sourced from PubChem (CID 63816442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).