4-amino-4-(4-methoxy-3-methylphenyl)pentan-1-ol

C13H21NO2 — CID 116861674

IUPAC4-amino-4-(4-methoxy-3-methylphenyl)pentan-1-ol
SMILESCOc1ccc(C(C)(N)CCCO)cc1C
InChIInChI=1S/C13H21NO2/c1-10-9-11(5-6-12(10)16-3)13(2,14)7-4-8-15/h5-6,9,15H,4,7-8,14H2,1-3H3
InChIKeyNMYRUZWALJZJSZ-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.95
Rot. Bonds5

About 4-amino-4-(4-methoxy-3-methylphenyl)pentan-1-ol

4-amino-4-(4-methoxy-3-methylphenyl)pentan-1-ol (PubChem CID 116861674) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 4-amino-4-(4-methoxy-3-methylphenyl)pentan-1-ol.

Molecular Properties

Compound Name4-amino-4-(4-methoxy-3-methylphenyl)pentan-1-ol
PubChem CID116861674
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name4-amino-4-(4-methoxy-3-methylphenyl)pentan-1-ol
SMILESCOc1ccc(C(C)(N)CCCO)cc1C
InChIInChI=1S/C13H21NO2/c1-10-9-11(5-6-12(10)16-3)13(2,14)7-4-8-15/h5-6,9,15H,4,7-8,14H2,1-3H3
InChIKeyNMYRUZWALJZJSZ-UHFFFAOYSA-N
XLogP1.95
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxy-3-methylphenyl)butan-2-amine
CID 82469033
2-(4-methoxy-3-methylphenyl)-2-methylpropan-1-ol
CID 82125771
3-amino-3-(3,4-dimethylphenyl)butan-1-ol
CID 65239742
(2R)-2-(4-methoxy-3-methylphenyl)pentan-2-ol
CID 97294322
2-amino-2-(4-methoxy-3-methylphenyl)propanoic acid
CID 82098466
(2R)-2-(4-methoxy-3-methylphenyl)butan-2-ol
CID 97294196
4-(4-ethoxy-3-methylphenyl)pentane-1,4-diol
CID 116861567
4-(3-tert-butyl-4-methoxyphenyl)pentane-1,4-diol
CID 116861537
1-methoxy-4-[2-(4-methoxy-3-methylphenyl)decan-2-yl]-2-methylbenzene
CID 171057442
1-methoxy-4-(2-methoxypropan-2-yl)-2-methylbenzene
CID 20723728
4-amino-4-(2,4-dimethylphenyl)pentan-1-ol
CID 116861683
(4S)-4-amino-4-(4-methoxy-3-methylphenyl)butan-1-ol;hydrochloride
CID 171233352

Frequently Asked Questions

What is the IUPAC name of 4-amino-4-(4-methoxy-3-methylphenyl)pentan-1-ol?
The IUPAC name of 4-amino-4-(4-methoxy-3-methylphenyl)pentan-1-ol (CID 116861674) is 4-amino-4-(4-methoxy-3-methylphenyl)pentan-1-ol.
What is the SMILES notation for 4-amino-4-(4-methoxy-3-methylphenyl)pentan-1-ol?
The canonical SMILES for 4-amino-4-(4-methoxy-3-methylphenyl)pentan-1-ol is COc1ccc(C(C)(N)CCCO)cc1C.
What is the InChIKey of 4-amino-4-(4-methoxy-3-methylphenyl)pentan-1-ol?
The InChIKey is NMYRUZWALJZJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-10-9-11(5-6-12(10)16-3)13(2,14)7-4-8-15/h5-6,9,15H,4,7-8,14H2,1-3H3.
What are the key properties of 4-amino-4-(4-methoxy-3-methylphenyl)pentan-1-ol?
4-amino-4-(4-methoxy-3-methylphenyl)pentan-1-ol has a molecular weight of 223.32 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-(4-methoxy-3-methylphenyl)pentan-1-ol is sourced from PubChem (CID 116861674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).