3-amino-3-anilinopropan-1-ol

C9H14N2O — CID 174697333

IUPAC3-amino-3-anilinopropan-1-ol
SMILESNC(CCO)Nc1ccccc1
InChIInChI=1S/C9H14N2O/c10-9(6-7-12)11-8-4-2-1-3-5-8/h1-5,9,11-12H,6-7,10H2
InChIKeyCRMNZJXXWGPSST-UHFFFAOYSA-N
MW166.22 g/mol
LogP0.77
Rot. Bonds4

About 3-amino-3-anilinopropan-1-ol

3-amino-3-anilinopropan-1-ol (PubChem CID 174697333) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 3-amino-3-anilinopropan-1-ol.

Molecular Properties

Compound Name3-amino-3-anilinopropan-1-ol
PubChem CID174697333
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name3-amino-3-anilinopropan-1-ol
SMILESNC(CCO)Nc1ccccc1
InChIInChI=1S/C9H14N2O/c10-9(6-7-12)11-8-4-2-1-3-5-8/h1-5,9,11-12H,6-7,10H2
InChIKeyCRMNZJXXWGPSST-UHFFFAOYSA-N
XLogP0.77
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 50.77
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

3-amino-3-anilinopropanal
CID 57291252
2-methoxy-1-N'-phenylethane-1,1-diamine
CID 139645747
N',N"-diphenylmethanetriamine
CID 89357309
4-N-(1-aminopropyl)-1-N-phenylbenzene-1,4-diamine
CID 66809670
3-anilino-3-(furan-2-yl)propan-1-ol
CID 83821736
4-N-phenylpentane-2,4-diamine
CID 156531414
(3S,4S)-3-[anilino(hydroxy)methyl]hexane-1,4-diol
CID 160990243
2-anilino-3-ethylpentan-1-ol
CID 61317721
2-anilino-3-chloropropan-1-ol
CID 42631222
2-amino-2-anilinoacetamide
CID 69372465
3-[dimethoxy(phenylmethoxy)silyl]-1-N'-phenylpropane-1,1-diamine
CID 151836311
3-amino-3-hydroxy-N-phenylpropane-1-sulfonamide;hydrochloride
CID 67782321

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-anilinopropan-1-ol?
The IUPAC name of 3-amino-3-anilinopropan-1-ol (CID 174697333) is 3-amino-3-anilinopropan-1-ol.
What is the SMILES notation for 3-amino-3-anilinopropan-1-ol?
The canonical SMILES for 3-amino-3-anilinopropan-1-ol is NC(CCO)Nc1ccccc1.
What is the InChIKey of 3-amino-3-anilinopropan-1-ol?
The InChIKey is CRMNZJXXWGPSST-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c10-9(6-7-12)11-8-4-2-1-3-5-8/h1-5,9,11-12H,6-7,10H2.
What are the key properties of 3-amino-3-anilinopropan-1-ol?
3-amino-3-anilinopropan-1-ol has a molecular weight of 166.22 g/mol, XLogP of 0.77, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-anilinopropan-1-ol is sourced from PubChem (CID 174697333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).