1-[2-(2-methylphenoxy)phenyl]propan-1-amine

C16H19NO — CID 112678413

IUPAC1-[2-(2-methylphenoxy)phenyl]propan-1-amine
SMILESCCC(N)c1ccccc1Oc1ccccc1C
InChIInChI=1S/C16H19NO/c1-3-14(17)13-9-5-7-11-16(13)18-15-10-6-4-8-12(15)2/h4-11,14H,3,17H2,1-2H3
InChIKeyLSJKHPMQKTYSGT-UHFFFAOYSA-N
MW241.33 g/mol
LogP4.20
Rot. Bonds4

About 1-[2-(2-methylphenoxy)phenyl]propan-1-amine

1-[2-(2-methylphenoxy)phenyl]propan-1-amine (PubChem CID 112678413) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 1-[2-(2-methylphenoxy)phenyl]propan-1-amine.

Molecular Properties

Compound Name1-[2-(2-methylphenoxy)phenyl]propan-1-amine
PubChem CID112678413
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name1-[2-(2-methylphenoxy)phenyl]propan-1-amine
SMILESCCC(N)c1ccccc1Oc1ccccc1C
InChIInChI=1S/C16H19NO/c1-3-14(17)13-9-5-7-11-16(13)18-15-10-6-4-8-12(15)2/h4-11,14H,3,17H2,1-2H3
InChIKeyLSJKHPMQKTYSGT-UHFFFAOYSA-N
XLogP4.20
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[2-(2-fluoro-3-methylphenoxy)phenyl]propan-1-amine
CID 107658799
(1S)-1-[2-(2,3,5-trimethylphenoxy)phenyl]propan-1-amine
CID 103959280
1-[2-(2-bromophenoxy)phenyl]propan-1-amine
CID 112678376
1-[2-(3-methyl-2-nitrophenoxy)phenyl]propan-1-amine
CID 115995653
(1S)-1-[2-(3,4-dimethylphenoxy)phenyl]propan-1-amine
CID 103959252
1-[2-(3,4-dimethylphenoxy)phenyl]propan-1-amine
CID 112678409
1-[2-(4-chloro-3,5-dimethylphenoxy)phenyl]propan-1-amine
CID 115995621
1-[2-(4-chloro-2,6-dimethylphenoxy)phenyl]propan-1-amine
CID 115995513
(1R)-1-(2-methoxyphenyl)propan-1-amine;hydrochloride
CID 53484779
(1S)-1-(2-ethoxyphenyl)propan-1-amine;hydrochloride
CID 171221746
(1R)-1-[2-(2-fluoro-5-methylphenoxy)phenyl]propan-1-amine
CID 103959407
1-[2-(2-chloro-4-methylphenoxy)phenyl]propan-1-amine
CID 112678472

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylphenoxy)phenyl]propan-1-amine?
The IUPAC name of 1-[2-(2-methylphenoxy)phenyl]propan-1-amine (CID 112678413) is 1-[2-(2-methylphenoxy)phenyl]propan-1-amine.
What is the SMILES notation for 1-[2-(2-methylphenoxy)phenyl]propan-1-amine?
The canonical SMILES for 1-[2-(2-methylphenoxy)phenyl]propan-1-amine is CCC(N)c1ccccc1Oc1ccccc1C.
What is the InChIKey of 1-[2-(2-methylphenoxy)phenyl]propan-1-amine?
The InChIKey is LSJKHPMQKTYSGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-3-14(17)13-9-5-7-11-16(13)18-15-10-6-4-8-12(15)2/h4-11,14H,3,17H2,1-2H3.
What are the key properties of 1-[2-(2-methylphenoxy)phenyl]propan-1-amine?
1-[2-(2-methylphenoxy)phenyl]propan-1-amine has a molecular weight of 241.33 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylphenoxy)phenyl]propan-1-amine is sourced from PubChem (CID 112678413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).