2-(3-chlorophenoxy)-1-(3,5-dimethylphenyl)propan-1-amine

C17H20ClNO — CID 105097009

IUPAC2-(3-chlorophenoxy)-1-(3,5-dimethylphenyl)propan-1-amine
SMILESCc1cc(C)cc(C(N)C(C)Oc2cccc(Cl)c2)c1
InChIInChI=1S/C17H20ClNO/c1-11-7-12(2)9-14(8-11)17(19)13(3)20-16-6-4-5-15(18)10-16/h4-10,13,17H,19H2,1-3H3
InChIKeyJJWREQHKYYJROZ-UHFFFAOYSA-N
MW289.81 g/mol
LogP4.42
Rot. Bonds4

About 2-(3-chlorophenoxy)-1-(3,5-dimethylphenyl)propan-1-amine

2-(3-chlorophenoxy)-1-(3,5-dimethylphenyl)propan-1-amine (PubChem CID 105097009) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-1-(3,5-dimethylphenyl)propan-1-amine.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-1-(3,5-dimethylphenyl)propan-1-amine
PubChem CID105097009
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC Name2-(3-chlorophenoxy)-1-(3,5-dimethylphenyl)propan-1-amine
SMILESCc1cc(C)cc(C(N)C(C)Oc2cccc(Cl)c2)c1
InChIInChI=1S/C17H20ClNO/c1-11-7-12(2)9-14(8-11)17(19)13(3)20-16-6-4-5-15(18)10-16/h4-10,13,17H,19H2,1-3H3
InChIKeyJJWREQHKYYJROZ-UHFFFAOYSA-N
XLogP4.42
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 ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chlorophenoxy)-1-(4-methylphenyl)propan-1-amine
CID 105092349
2-(3-chlorophenoxy)-1-(3,5-difluorophenyl)propan-1-amine
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2-(3-chlorophenoxy)-1-pyrimidin-5-ylpropan-1-amine
CID 105118874
2-(3-chlorophenoxy)-1-(2-methylphenyl)propan-1-amine
CID 105094671
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CID 105093487
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CID 105146009
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CID 102648801
3-[1-(3-chlorophenoxy)ethyl]aniline
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2-(3-chlorophenoxy)-1-cyclobutylpropan-1-amine
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3-(3-chlorophenoxy)-1-cyclopropylbutan-2-amine
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[1-(3-chloro-4-methylphenyl)-2-(3-chlorophenoxy)propyl]hydrazine
CID 107562651

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-1-(3,5-dimethylphenyl)propan-1-amine?
The IUPAC name of 2-(3-chlorophenoxy)-1-(3,5-dimethylphenyl)propan-1-amine (CID 105097009) is 2-(3-chlorophenoxy)-1-(3,5-dimethylphenyl)propan-1-amine.
What is the SMILES notation for 2-(3-chlorophenoxy)-1-(3,5-dimethylphenyl)propan-1-amine?
The canonical SMILES for 2-(3-chlorophenoxy)-1-(3,5-dimethylphenyl)propan-1-amine is Cc1cc(C)cc(C(N)C(C)Oc2cccc(Cl)c2)c1.
What is the InChIKey of 2-(3-chlorophenoxy)-1-(3,5-dimethylphenyl)propan-1-amine?
The InChIKey is JJWREQHKYYJROZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO/c1-11-7-12(2)9-14(8-11)17(19)13(3)20-16-6-4-5-15(18)10-16/h4-10,13,17H,19H2,1-3H3.
What are the key properties of 2-(3-chlorophenoxy)-1-(3,5-dimethylphenyl)propan-1-amine?
2-(3-chlorophenoxy)-1-(3,5-dimethylphenyl)propan-1-amine has a molecular weight of 289.81 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-1-(3,5-dimethylphenyl)propan-1-amine is sourced from PubChem (CID 105097009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).