(2S)-1-[(2-phenylcyclopropyl)amino]propan-2-ol

C12H17NO — CID 106932009

IUPAC(2S)-1-[(2-phenylcyclopropyl)amino]propan-2-ol
SMILESC[C@H](O)CNC1CC1c1ccccc1
InChIInChI=1S/C12H17NO/c1-9(14)8-13-12-7-11(12)10-5-3-2-4-6-10/h2-6,9,11-14H,7-8H2,1H3/t9-,11?,12?/m0/s1
InChIKeyHPNUPDOARKAUJJ-GCVQQVDUSA-N
MW191.27 g/mol
LogP1.51
Rot. Bonds4

About (2S)-1-[(2-phenylcyclopropyl)amino]propan-2-ol

(2S)-1-[(2-phenylcyclopropyl)amino]propan-2-ol (PubChem CID 106932009) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is (2S)-1-[(2-phenylcyclopropyl)amino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[(2-phenylcyclopropyl)amino]propan-2-ol
PubChem CID106932009
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name(2S)-1-[(2-phenylcyclopropyl)amino]propan-2-ol
SMILESC[C@H](O)CNC1CC1c1ccccc1
InChIInChI=1S/C12H17NO/c1-9(14)8-13-12-7-11(12)10-5-3-2-4-6-10/h2-6,9,11-14H,7-8H2,1H3/t9-,11?,12?/m0/s1
InChIKeyHPNUPDOARKAUJJ-GCVQQVDUSA-N
XLogP1.51
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-methyl-1-N-(2-phenylcyclopropyl)propane-1,2-diamine
CID 62632238
N'-hydroxy-2-methyl-3-[(2-phenylcyclopropyl)amino]propanimidamide
CID 77030977
N-(2,2-diethoxyethyl)-2-phenylcyclopropan-1-amine
CID 81093085
(2R)-1-[[(1S,3S)-2,2-dimethyl-3-phenylcyclobutyl]amino]propan-2-ol
CID 99603211
3,3,3-trifluoro-2-[[(2-phenylcyclopropyl)amino]methyl]propanoic acid
CID 103244651
3-[[(2-phenylcyclopropyl)amino]methyl]pentan-3-ol
CID 115919440
2,2-dimethyl-3-[(2-phenylcyclopropyl)amino]propan-1-ol
CID 81411044
trans-(1R,2S)-N-(2-chloroethyl)-2-phenylcyclopropan-1-amine
CID 67064917
2-methyl-3-[(2-phenylcyclopropyl)carbamoylamino]propanoic acid
CID 55105274
N-ethyl-3-phenyl-2-propan-2-ylcyclobutan-1-amine
CID 81421340
2-phenyl-N-(3-phenylprop-2-ynyl)cyclopropan-1-amine
CID 62340040
1-(1-methylpyrazol-4-yl)-N'-(2-phenylcyclopropyl)ethane-1,2-diamine
CID 115291248

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2-phenylcyclopropyl)amino]propan-2-ol?
The IUPAC name of (2S)-1-[(2-phenylcyclopropyl)amino]propan-2-ol (CID 106932009) is (2S)-1-[(2-phenylcyclopropyl)amino]propan-2-ol.
What is the SMILES notation for (2S)-1-[(2-phenylcyclopropyl)amino]propan-2-ol?
The canonical SMILES for (2S)-1-[(2-phenylcyclopropyl)amino]propan-2-ol is C[C@H](O)CNC1CC1c1ccccc1.
What is the InChIKey of (2S)-1-[(2-phenylcyclopropyl)amino]propan-2-ol?
The InChIKey is HPNUPDOARKAUJJ-GCVQQVDUSA-N. The full InChI is InChI=1S/C12H17NO/c1-9(14)8-13-12-7-11(12)10-5-3-2-4-6-10/h2-6,9,11-14H,7-8H2,1H3/t9-,11?,12?/m0/s1.
What are the key properties of (2S)-1-[(2-phenylcyclopropyl)amino]propan-2-ol?
(2S)-1-[(2-phenylcyclopropyl)amino]propan-2-ol has a molecular weight of 191.27 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2-phenylcyclopropyl)amino]propan-2-ol is sourced from PubChem (CID 106932009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).