3-[2-(3-methoxyphenyl)phenoxy]propan-1-amine

C16H19NO2 — CID 170456496

IUPAC3-[2-(3-methoxyphenyl)phenoxy]propan-1-amine
SMILESCOc1cccc(-c2ccccc2OCCCN)c1
InChIInChI=1S/C16H19NO2/c1-18-14-7-4-6-13(12-14)15-8-2-3-9-16(15)19-11-5-10-17/h2-4,6-9,12H,5,10-11,17H2,1H3
InChIKeyNNBLQXXRSFHOFO-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.09
Rot. Bonds6

About 3-[2-(3-methoxyphenyl)phenoxy]propan-1-amine

3-[2-(3-methoxyphenyl)phenoxy]propan-1-amine (PubChem CID 170456496) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 3-[2-(3-methoxyphenyl)phenoxy]propan-1-amine.

Molecular Properties

Compound Name3-[2-(3-methoxyphenyl)phenoxy]propan-1-amine
PubChem CID170456496
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name3-[2-(3-methoxyphenyl)phenoxy]propan-1-amine
SMILESCOc1cccc(-c2ccccc2OCCCN)c1
InChIInChI=1S/C16H19NO2/c1-18-14-7-4-6-13(12-14)15-8-2-3-9-16(15)19-11-5-10-17/h2-4,6-9,12H,5,10-11,17H2,1H3
InChIKeyNNBLQXXRSFHOFO-UHFFFAOYSA-N
XLogP3.09
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-1-[3-methoxy-4-(3-methoxyphenyl)phenyl]-4-(2-methoxyphenyl)benzene
CID 174295636
4-(2-phenylphenoxy)butan-1-amine;hydrochloride
CID 3046513
3-[2-(2-methoxyethoxy)phenyl]aniline
CID 104660805
1,2-dimethoxy-3-(3-methoxyphenyl)benzene
CID 57121160
2-(2-phenylphenoxy)ethanamine;hydrochloride
CID 2876913
[3-butoxy-4-(3-methoxyphenyl)phenyl]methanol
CID 58380155
methyl 4-[2-(3-aminopropoxy)phenyl]benzoate
CID 170456514
3-(2,6-dimethoxyphenoxy)propan-1-amine
CID 14025832
2-[2-(3-methoxyphenyl)phenyl]phenol
CID 135057832
N'-[4-(2-phenylphenoxy)butyl]ethane-1,2-diamine
CID 2299976
N'-[2-(3-methoxyphenoxy)ethyl]ethane-1,2-diamine
CID 82339456
[5-chloro-2-(3-methoxyphenyl)phenyl]methanamine
CID 66160491

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-methoxyphenyl)phenoxy]propan-1-amine?
The IUPAC name of 3-[2-(3-methoxyphenyl)phenoxy]propan-1-amine (CID 170456496) is 3-[2-(3-methoxyphenyl)phenoxy]propan-1-amine.
What is the SMILES notation for 3-[2-(3-methoxyphenyl)phenoxy]propan-1-amine?
The canonical SMILES for 3-[2-(3-methoxyphenyl)phenoxy]propan-1-amine is COc1cccc(-c2ccccc2OCCCN)c1.
What is the InChIKey of 3-[2-(3-methoxyphenyl)phenoxy]propan-1-amine?
The InChIKey is NNBLQXXRSFHOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-18-14-7-4-6-13(12-14)15-8-2-3-9-16(15)19-11-5-10-17/h2-4,6-9,12H,5,10-11,17H2,1H3.
What are the key properties of 3-[2-(3-methoxyphenyl)phenoxy]propan-1-amine?
3-[2-(3-methoxyphenyl)phenoxy]propan-1-amine has a molecular weight of 257.33 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-methoxyphenyl)phenoxy]propan-1-amine is sourced from PubChem (CID 170456496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).