2-amino-1-[2-(aminomethyl)phenyl]propan-1-ol

C10H16N2O — CID 174502145

IUPAC2-amino-1-[2-(aminomethyl)phenyl]propan-1-ol
SMILESCC(N)C(O)c1ccccc1CN
InChIInChI=1S/C10H16N2O/c1-7(12)10(13)9-5-3-2-4-8(9)6-11/h2-5,7,10,13H,6,11-12H2,1H3
InChIKeyGIEZUAOTMQCUGA-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.53
Rot. Bonds3

About 2-amino-1-[2-(aminomethyl)phenyl]propan-1-ol

2-amino-1-[2-(aminomethyl)phenyl]propan-1-ol (PubChem CID 174502145) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-amino-1-[2-(aminomethyl)phenyl]propan-1-ol.

Molecular Properties

Compound Name2-amino-1-[2-(aminomethyl)phenyl]propan-1-ol
PubChem CID174502145
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name2-amino-1-[2-(aminomethyl)phenyl]propan-1-ol
SMILESCC(N)C(O)c1ccccc1CN
InChIInChI=1S/C10H16N2O/c1-7(12)10(13)9-5-3-2-4-8(9)6-11/h2-5,7,10,13H,6,11-12H2,1H3
InChIKeyGIEZUAOTMQCUGA-UHFFFAOYSA-N
XLogP0.53
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2-propan-2-ylphenyl)methanamine
CID 15040708
1-[2-(aminomethyl)phenyl]-3-sulfanylpropane-1,2-diol
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3-[2-(aminomethyl)phenyl]-2,3-dihydroxypropanamide
CID 171867891
methyl (2R,3S)-3-[2-(aminomethyl)phenyl]-2,3-dihydroxypropanoate
CID 150198821
(1S,2R)-2-amino-1-(2-methoxyphenyl)propan-1-ol
CID 15671931
[2-(difluoromethyl)phenyl]methanamine
CID 71306246
[2-[(1S)-1-aminoethyl]phenyl]methanol;hydrochloride
CID 162422631
(1S,2R)-2-amino-1-phenylpropan-1-ol
CID 26934
2-amino-1-[3-fluoro-2-(fluoromethyl)phenyl]propan-1-ol
CID 84669941
1,1,5,5-tetrakis[2-(aminomethyl)phenyl]pentan-3-one
CID 174948775
2-amino-1-(2,3-difluorophenyl)propan-1-ol
CID 63669406
(1R,2R)-1-amino-1-[2-(hydroxymethyl)phenyl]propan-2-ol
CID 131209275

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[2-(aminomethyl)phenyl]propan-1-ol?
The IUPAC name of 2-amino-1-[2-(aminomethyl)phenyl]propan-1-ol (CID 174502145) is 2-amino-1-[2-(aminomethyl)phenyl]propan-1-ol.
What is the SMILES notation for 2-amino-1-[2-(aminomethyl)phenyl]propan-1-ol?
The canonical SMILES for 2-amino-1-[2-(aminomethyl)phenyl]propan-1-ol is CC(N)C(O)c1ccccc1CN.
What is the InChIKey of 2-amino-1-[2-(aminomethyl)phenyl]propan-1-ol?
The InChIKey is GIEZUAOTMQCUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-7(12)10(13)9-5-3-2-4-8(9)6-11/h2-5,7,10,13H,6,11-12H2,1H3.
What are the key properties of 2-amino-1-[2-(aminomethyl)phenyl]propan-1-ol?
2-amino-1-[2-(aminomethyl)phenyl]propan-1-ol has a molecular weight of 180.25 g/mol, XLogP of 0.53, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[2-(aminomethyl)phenyl]propan-1-ol is sourced from PubChem (CID 174502145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).