3-(3-methyl-2-phenoxyphenyl)propan-1-amine

C16H19NO — CID 91527505

IUPAC3-(3-methyl-2-phenoxyphenyl)propan-1-amine
SMILESCc1cccc(CCCN)c1Oc1ccccc1
InChIInChI=1S/C16H19NO/c1-13-7-5-8-14(9-6-12-17)16(13)18-15-10-3-2-4-11-15/h2-5,7-8,10-11H,6,9,12,17H2,1H3
InChIKeyDGVMBFNVMITQBA-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.68
Rot. Bonds5

About 3-(3-methyl-2-phenoxyphenyl)propan-1-amine

3-(3-methyl-2-phenoxyphenyl)propan-1-amine (PubChem CID 91527505) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 3-(3-methyl-2-phenoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(3-methyl-2-phenoxyphenyl)propan-1-amine
PubChem CID91527505
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name3-(3-methyl-2-phenoxyphenyl)propan-1-amine
SMILESCc1cccc(CCCN)c1Oc1ccccc1
InChIInChI=1S/C16H19NO/c1-13-7-5-8-14(9-6-12-17)16(13)18-15-10-3-2-4-11-15/h2-5,7-8,10-11H,6,9,12,17H2,1H3
InChIKeyDGVMBFNVMITQBA-UHFFFAOYSA-N
XLogP3.68
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,5-dimethyl-4-phenoxyphenyl)propan-1-amine;ethane
CID 144504819
3-(2-phenoxyphenyl)propan-1-amine;phosphane
CID 175469418
3-(4-methylnaphthalen-1-yl)propan-1-amine
CID 55266988
2-phenoxy-1,3-di(tetradecyl)benzene
CID 101292182
3-(2-fluoro-3-methylphenyl)propan-1-amine
CID 70348406
3-(2-chloro-3-methylphenyl)propan-1-amine
CID 83696792
(3-methyl-2-naphthalen-2-yloxyphenyl)methanamine
CID 107105912
5-(4-methylnaphthalen-1-yl)pentan-1-amine
CID 65305159
1,2-diphenoxy-3-propylbenzene
CID 18381159
2-[2-(4-methoxybutoxy)-3-methylphenyl]ethanamine
CID 104648854
3-ethyl-2-phenoxyphenol
CID 66865882
ethane;1-methoxy-3-methyl-2-phenoxybenzene
CID 155714526

Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-2-phenoxyphenyl)propan-1-amine?
The IUPAC name of 3-(3-methyl-2-phenoxyphenyl)propan-1-amine (CID 91527505) is 3-(3-methyl-2-phenoxyphenyl)propan-1-amine.
What is the SMILES notation for 3-(3-methyl-2-phenoxyphenyl)propan-1-amine?
The canonical SMILES for 3-(3-methyl-2-phenoxyphenyl)propan-1-amine is Cc1cccc(CCCN)c1Oc1ccccc1.
What is the InChIKey of 3-(3-methyl-2-phenoxyphenyl)propan-1-amine?
The InChIKey is DGVMBFNVMITQBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-13-7-5-8-14(9-6-12-17)16(13)18-15-10-3-2-4-11-15/h2-5,7-8,10-11H,6,9,12,17H2,1H3.
What are the key properties of 3-(3-methyl-2-phenoxyphenyl)propan-1-amine?
3-(3-methyl-2-phenoxyphenyl)propan-1-amine has a molecular weight of 241.33 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-2-phenoxyphenyl)propan-1-amine is sourced from PubChem (CID 91527505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).