[4-(2-aminopropyl)phenyl]methanediol

C10H15NO2 — CID 77321990

IUPAC[4-(2-aminopropyl)phenyl]methanediol
SMILESCC(N)Cc1ccc(C(O)O)cc1
InChIInChI=1S/C10H15NO2/c1-7(11)6-8-2-4-9(5-3-8)10(12)13/h2-5,7,10,12-13H,6,11H2,1H3
InChIKeyXUNWFZQAQBNRGV-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.56
Rot. Bonds3

About [4-(2-aminopropyl)phenyl]methanediol

[4-(2-aminopropyl)phenyl]methanediol (PubChem CID 77321990) has the molecular formula C10H15NO2 and a molecular weight of 181.24 g/mol. Its IUPAC name is [4-(2-aminopropyl)phenyl]methanediol.

Molecular Properties

Compound Name[4-(2-aminopropyl)phenyl]methanediol
PubChem CID77321990
Molecular FormulaC10H15NO2
Molecular Weight181.24 g/mol
Exact Mass181.11
IUPAC Name[4-(2-aminopropyl)phenyl]methanediol
SMILESCC(N)Cc1ccc(C(O)O)cc1
InChIInChI=1S/C10H15NO2/c1-7(11)6-8-2-4-9(5-3-8)10(12)13/h2-5,7,10,12-13H,6,11H2,1H3
InChIKeyXUNWFZQAQBNRGV-UHFFFAOYSA-N
XLogP0.56
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[4-(dichloromethyl)phenyl]propan-2-amine
CID 67566603
1-[4-(1,3-difluoropropan-2-yl)phenyl]propan-2-amine
CID 83886053
4-[(2S)-2-aminopropyl]phenol;hydrochloride
CID 90673532
4-(2-aminopropyl)phenol;dihydrobromide
CID 23615767
4-[(2S)-2-aminopropyl]phenol;methanol
CID 142971966
3-[4-(dihydroxymethyl)phenyl]-2-methylpropanal
CID 57470357
1-(4-chlorophenyl)propan-2-amine
CID 3127
λ2-plumbane;1-phenylpropan-2-amine
CID 174896483
4-(2-aminopropyl)benzene-1,2-diol;ethane
CID 169229376
1-[4-(2-aminopropyl)-2-(1-hydroxyethyl)phenyl]ethanol
CID 21121270
N-[1-[4-[(2R)-2-aminopropyl]phenyl]ethyl]-2,2-bis(sulfanyl)acetamide
CID 57298459
azane;1-phenylpropan-2-amine
CID 67350534

Frequently Asked Questions

What is the IUPAC name of [4-(2-aminopropyl)phenyl]methanediol?
The IUPAC name of [4-(2-aminopropyl)phenyl]methanediol (CID 77321990) is [4-(2-aminopropyl)phenyl]methanediol.
What is the SMILES notation for [4-(2-aminopropyl)phenyl]methanediol?
The canonical SMILES for [4-(2-aminopropyl)phenyl]methanediol is CC(N)Cc1ccc(C(O)O)cc1.
What is the InChIKey of [4-(2-aminopropyl)phenyl]methanediol?
The InChIKey is XUNWFZQAQBNRGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-7(11)6-8-2-4-9(5-3-8)10(12)13/h2-5,7,10,12-13H,6,11H2,1H3.
What are the key properties of [4-(2-aminopropyl)phenyl]methanediol?
[4-(2-aminopropyl)phenyl]methanediol has a molecular weight of 181.24 g/mol, XLogP of 0.56, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-aminopropyl)phenyl]methanediol is sourced from PubChem (CID 77321990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).