3-(2-methoxy-5-phenylphenyl)propan-1-amine

C16H19NO — CID 170867885

IUPAC3-(2-methoxy-5-phenylphenyl)propan-1-amine
SMILESCOc1ccc(-c2ccccc2)cc1CCCN
InChIInChI=1S/C16H19NO/c1-18-16-10-9-14(12-15(16)8-5-11-17)13-6-3-2-4-7-13/h2-4,6-7,9-10,12H,5,8,11,17H2,1H3
InChIKeyHONNSYQDVUFEPL-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.25
Rot. Bonds5

About 3-(2-methoxy-5-phenylphenyl)propan-1-amine

3-(2-methoxy-5-phenylphenyl)propan-1-amine (PubChem CID 170867885) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 3-(2-methoxy-5-phenylphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(2-methoxy-5-phenylphenyl)propan-1-amine
PubChem CID170867885
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name3-(2-methoxy-5-phenylphenyl)propan-1-amine
SMILESCOc1ccc(-c2ccccc2)cc1CCCN
InChIInChI=1S/C16H19NO/c1-18-16-10-9-14(12-15(16)8-5-11-17)13-6-3-2-4-7-13/h2-4,6-7,9-10,12H,5,8,11,17H2,1H3
InChIKeyHONNSYQDVUFEPL-UHFFFAOYSA-N
XLogP3.25
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 ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-fluoro-2-methoxyphenyl)propan-1-amine
CID 55267312
3-[2-(3,4-dimethoxyphenyl)phenyl]propan-1-amine
CID 69397139
2-(2-methoxy-5-phenylphenyl)ethanimidamide
CID 91757147
3-[5-(difluoromethyl)-2-methoxyphenyl]propan-1-amine
CID 84681019
3-(3-aminopropyl)-N-[2-[3-[3-[[3-(3-aminopropyl)anilino]methyl]-4-methoxyphenyl]phenyl]ethyl]aniline
CID 90866134
3-(4-methoxy-3-propylphenyl)propan-1-amine
CID 123256997
4-(5-tert-butyl-2-methoxyphenyl)butan-1-amine
CID 93185561
2-(2-methoxy-4-phenylphenyl)acetic acid
CID 23503476
[5-(3-fluorophenyl)-2-methoxyphenyl]methanamine
CID 54911914
N-[3-(3-aminopropyl)-4-methoxyphenyl]acetamide
CID 96659275
N-(benzenesulfonyl)-N-[(2-methoxy-5-phenylphenyl)methyl]benzenesulfonamide
CID 135064174
3-(2,5-dimethoxy-4-pentylphenyl)propan-1-amine
CID 176899183

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-5-phenylphenyl)propan-1-amine?
The IUPAC name of 3-(2-methoxy-5-phenylphenyl)propan-1-amine (CID 170867885) is 3-(2-methoxy-5-phenylphenyl)propan-1-amine.
What is the SMILES notation for 3-(2-methoxy-5-phenylphenyl)propan-1-amine?
The canonical SMILES for 3-(2-methoxy-5-phenylphenyl)propan-1-amine is COc1ccc(-c2ccccc2)cc1CCCN.
What is the InChIKey of 3-(2-methoxy-5-phenylphenyl)propan-1-amine?
The InChIKey is HONNSYQDVUFEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-18-16-10-9-14(12-15(16)8-5-11-17)13-6-3-2-4-7-13/h2-4,6-7,9-10,12H,5,8,11,17H2,1H3.
What are the key properties of 3-(2-methoxy-5-phenylphenyl)propan-1-amine?
3-(2-methoxy-5-phenylphenyl)propan-1-amine has a molecular weight of 241.33 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-5-phenylphenyl)propan-1-amine is sourced from PubChem (CID 170867885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).