[3-[(1R)-1,2-diaminoethyl]phenyl]methanol

C9H14N2O — CID 66516208

IUPAC[3-[(1R)-1,2-diaminoethyl]phenyl]methanol
SMILESNC[C@H](N)c1cccc(CO)c1
InChIInChI=1S/C9H14N2O/c10-5-9(11)8-3-1-2-7(4-8)6-12/h1-4,9,12H,5-6,10-11H2/t9-/m0/s1
InChIKeyFCMXALMUJCIXMH-VIFPVBQESA-N
MW166.22 g/mol
LogP0.14
Rot. Bonds3

About [3-[(1R)-1,2-diaminoethyl]phenyl]methanol

[3-[(1R)-1,2-diaminoethyl]phenyl]methanol (PubChem CID 66516208) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is [3-[(1R)-1,2-diaminoethyl]phenyl]methanol.

Molecular Properties

Compound Name[3-[(1R)-1,2-diaminoethyl]phenyl]methanol
PubChem CID66516208
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name[3-[(1R)-1,2-diaminoethyl]phenyl]methanol
SMILESNC[C@H](N)c1cccc(CO)c1
InChIInChI=1S/C9H14N2O/c10-5-9(11)8-3-1-2-7(4-8)6-12/h1-4,9,12H,5-6,10-11H2/t9-/m0/s1
InChIKeyFCMXALMUJCIXMH-VIFPVBQESA-N
XLogP0.14
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze [3-[(1R)-1,2-diaminoethyl]phenyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-2-[3-(hydroxymethyl)phenyl]propan-1-ol
CID 90041405
[3-(1-amino-2-cyclopropylethyl)phenyl]methanol
CID 55297629
3-[3-[(1R)-1,2-diaminoethyl]phenyl]propanoic acid
CID 66516947
3-amino-3-[3-[3-(hydroxymethyl)phenyl]phenyl]propan-1-ol;hydrochloride
CID 170875196
[4-(1,2-diaminoethyl)-2-fluorophenyl]methanol
CID 55283323
2-[(1S)-1,2-diaminoethyl]-4-(hydroxymethyl)phenol
CID 55264057
(1R)-1-(3-propoxyphenyl)ethane-1,2-diamine
CID 66516554
N-[3-[(1S)-1,2-diaminoethyl]phenyl]acetamide
CID 66516552
1-(3-methoxyphenyl)ethane-1,2-diamine;dihydrochloride
CID 138109115
[3-[1-(ethylamino)ethyl]phenyl]methanol
CID 115776701
3-amino-3-[3-(4-phenylbut-2-ynyl)phenyl]propan-1-ol
CID 68817683
3-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-3-phenylpropanamide
CID 103823770

Frequently Asked Questions

What is the IUPAC name of [3-[(1R)-1,2-diaminoethyl]phenyl]methanol?
The IUPAC name of [3-[(1R)-1,2-diaminoethyl]phenyl]methanol (CID 66516208) is [3-[(1R)-1,2-diaminoethyl]phenyl]methanol.
What is the SMILES notation for [3-[(1R)-1,2-diaminoethyl]phenyl]methanol?
The canonical SMILES for [3-[(1R)-1,2-diaminoethyl]phenyl]methanol is NC[C@H](N)c1cccc(CO)c1.
What is the InChIKey of [3-[(1R)-1,2-diaminoethyl]phenyl]methanol?
The InChIKey is FCMXALMUJCIXMH-VIFPVBQESA-N. The full InChI is InChI=1S/C9H14N2O/c10-5-9(11)8-3-1-2-7(4-8)6-12/h1-4,9,12H,5-6,10-11H2/t9-/m0/s1.
What are the key properties of [3-[(1R)-1,2-diaminoethyl]phenyl]methanol?
[3-[(1R)-1,2-diaminoethyl]phenyl]methanol has a molecular weight of 166.22 g/mol, XLogP of 0.14, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(1R)-1,2-diaminoethyl]phenyl]methanol is sourced from PubChem (CID 66516208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).