3-amino-1-[3-(3-methoxypropyl)phenyl]propan-1-ol

C13H21NO2 — CID 42610605

IUPAC3-amino-1-[3-(3-methoxypropyl)phenyl]propan-1-ol
SMILESCOCCCc1cccc(C(O)CCN)c1
InChIInChI=1S/C13H21NO2/c1-16-9-3-5-11-4-2-6-12(10-11)13(15)7-8-14/h2,4,6,10,13,15H,3,5,7-9,14H2,1H3
InChIKeyXJJWDPMJQMGCJD-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.65
Rot. Bonds7

About 3-amino-1-[3-(3-methoxypropyl)phenyl]propan-1-ol

3-amino-1-[3-(3-methoxypropyl)phenyl]propan-1-ol (PubChem CID 42610605) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-amino-1-[3-(3-methoxypropyl)phenyl]propan-1-ol.

Molecular Properties

Compound Name3-amino-1-[3-(3-methoxypropyl)phenyl]propan-1-ol
PubChem CID42610605
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name3-amino-1-[3-(3-methoxypropyl)phenyl]propan-1-ol
SMILESCOCCCc1cccc(C(O)CCN)c1
InChIInChI=1S/C13H21NO2/c1-16-9-3-5-11-4-2-6-12(10-11)13(15)7-8-14/h2,4,6,10,13,15H,3,5,7-9,14H2,1H3
InChIKeyXJJWDPMJQMGCJD-UHFFFAOYSA-N
XLogP1.65
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-1-(3-butylphenyl)propan-1-ol
CID 71229266
3-amino-1-[3-(3-propylhexyl)phenyl]propan-1-ol
CID 66743557
4-methoxy-1-(3-methylphenyl)butan-1-ol
CID 62608574
1-(3-butylphenyl)butan-1-ol
CID 158563510
4-[3-(3-amino-1-hydroxypropyl)phenyl]-2,2-diethylbutanal
CID 123641994
4-[3-(2-methoxyethyl)phenyl]butan-1-amine
CID 117115617
3-amino-1-(3-octoxyphenyl)propan-1-ol
CID 130373075
3-amino-1-[3-(3-cyclopropyl-3-methylhexyl)phenyl]propan-1-ol
CID 143800223
3-amino-1-(3-ethoxyphenyl)propan-1-ol
CID 79135598
1-(bromomethyl)-3-(3-methoxypropyl)benzene
CID 59382337
3-amino-1-[3-(dimethylamino)phenyl]propan-1-ol
CID 82605939
methyl 2-hydroxy-2-[3-(2-methoxyethyl)phenyl]acetate
CID 117108625

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[3-(3-methoxypropyl)phenyl]propan-1-ol?
The IUPAC name of 3-amino-1-[3-(3-methoxypropyl)phenyl]propan-1-ol (CID 42610605) is 3-amino-1-[3-(3-methoxypropyl)phenyl]propan-1-ol.
What is the SMILES notation for 3-amino-1-[3-(3-methoxypropyl)phenyl]propan-1-ol?
The canonical SMILES for 3-amino-1-[3-(3-methoxypropyl)phenyl]propan-1-ol is COCCCc1cccc(C(O)CCN)c1.
What is the InChIKey of 3-amino-1-[3-(3-methoxypropyl)phenyl]propan-1-ol?
The InChIKey is XJJWDPMJQMGCJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-16-9-3-5-11-4-2-6-12(10-11)13(15)7-8-14/h2,4,6,10,13,15H,3,5,7-9,14H2,1H3.
What are the key properties of 3-amino-1-[3-(3-methoxypropyl)phenyl]propan-1-ol?
3-amino-1-[3-(3-methoxypropyl)phenyl]propan-1-ol has a molecular weight of 223.32 g/mol, XLogP of 1.65, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[3-(3-methoxypropyl)phenyl]propan-1-ol is sourced from PubChem (CID 42610605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).