(2S)-2-amino-2-[4-(aminomethyl)phenyl]propan-1-ol

C10H16N2O — CID 130627760

IUPAC(2S)-2-amino-2-[4-(aminomethyl)phenyl]propan-1-ol
SMILESC[C@@](N)(CO)c1ccc(CN)cc1
InChIInChI=1S/C10H16N2O/c1-10(12,7-13)9-4-2-8(6-11)3-5-9/h2-5,13H,6-7,11-12H2,1H3/t10-/m1/s1
InChIKeyLJYLUWKCKOPUIA-SNVBAGLBSA-N
MW180.25 g/mol
LogP0.31
Rot. Bonds3

About (2S)-2-amino-2-[4-(aminomethyl)phenyl]propan-1-ol

(2S)-2-amino-2-[4-(aminomethyl)phenyl]propan-1-ol (PubChem CID 130627760) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is (2S)-2-amino-2-[4-(aminomethyl)phenyl]propan-1-ol.

Molecular Properties

Compound Name(2S)-2-amino-2-[4-(aminomethyl)phenyl]propan-1-ol
PubChem CID130627760
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name(2S)-2-amino-2-[4-(aminomethyl)phenyl]propan-1-ol
SMILESC[C@@](N)(CO)c1ccc(CN)cc1
InChIInChI=1S/C10H16N2O/c1-10(12,7-13)9-4-2-8(6-11)3-5-9/h2-5,13H,6-7,11-12H2,1H3/t10-/m1/s1
InChIKeyLJYLUWKCKOPUIA-SNVBAGLBSA-N
XLogP0.31
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 ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-(4-ethylphenyl)propan-1-ol
CID 61054820
(4-tert-butylphenyl)methanamine;oxalic acid
CID 146079454
4-[2-[4-(aminomethyl)phenyl]-2-methylpropyl]phenol
CID 174702747
(2S)-2-amino-2-(4-ethynylphenyl)propan-1-ol
CID 130654759
2-amino-2-(3-ethylphenyl)propan-1-ol
CID 55294945
3-amino-3-(4-ethylphenyl)butan-1-ol
CID 65239511
2-[4-(aminomethyl)phenyl]-2-fluoropropanoic acid
CID 138583978
2-amino-2-(4-nitrophenyl)propan-1-ol
CID 55268506
2-amino-2-(4-propoxyphenyl)propan-1-ol
CID 61056640
[4-[4-(2-methylbutan-2-yl)phenyl]phenyl]methanamine
CID 66259187
2-[4-(2-amino-2-methylpropyl)phenyl]-2-methylpropan-1-ol
CID 117111989
4-[(2R)-2-aminobutan-2-yl]phenol
CID 130649235

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-[4-(aminomethyl)phenyl]propan-1-ol?
The IUPAC name of (2S)-2-amino-2-[4-(aminomethyl)phenyl]propan-1-ol (CID 130627760) is (2S)-2-amino-2-[4-(aminomethyl)phenyl]propan-1-ol.
What is the SMILES notation for (2S)-2-amino-2-[4-(aminomethyl)phenyl]propan-1-ol?
The canonical SMILES for (2S)-2-amino-2-[4-(aminomethyl)phenyl]propan-1-ol is C[C@@](N)(CO)c1ccc(CN)cc1.
What is the InChIKey of (2S)-2-amino-2-[4-(aminomethyl)phenyl]propan-1-ol?
The InChIKey is LJYLUWKCKOPUIA-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H16N2O/c1-10(12,7-13)9-4-2-8(6-11)3-5-9/h2-5,13H,6-7,11-12H2,1H3/t10-/m1/s1.
What are the key properties of (2S)-2-amino-2-[4-(aminomethyl)phenyl]propan-1-ol?
(2S)-2-amino-2-[4-(aminomethyl)phenyl]propan-1-ol has a molecular weight of 180.25 g/mol, XLogP of 0.31, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-[4-(aminomethyl)phenyl]propan-1-ol is sourced from PubChem (CID 130627760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).