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

C13H19NO — CID 103880708

IUPAC(2S)-2-[(2-phenylcyclopropyl)methylamino]propan-1-ol
SMILESC[C@@H](CO)NCC1CC1c1ccccc1
InChIInChI=1S/C13H19NO/c1-10(9-15)14-8-12-7-13(12)11-5-3-2-4-6-11/h2-6,10,12-15H,7-9H2,1H3/t10-,12?,13?/m0/s1
InChIKeyGROREEHLKLSTBK-PKSQDBQZSA-N
MW205.30 g/mol
LogP1.76
Rot. Bonds5

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

(2S)-2-[(2-phenylcyclopropyl)methylamino]propan-1-ol (PubChem CID 103880708) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is (2S)-2-[(2-phenylcyclopropyl)methylamino]propan-1-ol.

Molecular Properties

Compound Name(2S)-2-[(2-phenylcyclopropyl)methylamino]propan-1-ol
PubChem CID103880708
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name(2S)-2-[(2-phenylcyclopropyl)methylamino]propan-1-ol
SMILESC[C@@H](CO)NCC1CC1c1ccccc1
InChIInChI=1S/C13H19NO/c1-10(9-15)14-8-12-7-13(12)11-5-3-2-4-6-11/h2-6,10,12-15H,7-9H2,1H3/t10-,12?,13?/m0/s1
InChIKeyGROREEHLKLSTBK-PKSQDBQZSA-N
XLogP1.76
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[(2-phenylcyclopropyl)methylamino]propan-1-ol
CID 103880516
3-[(1R)-1-[[(1R,2R)-2-phenylcyclopropyl]methylamino]ethyl]phenol;tungsten
CID 59930174
N-[[(1R,2R)-2-phenylcyclopropyl]methyl]acetamide
CID 70274106
N-[(2-phenylcyclopropyl)methyl]acetamide
CID 70274109
4-(1-hydroxyethyl)-N-[(2-phenylcyclopropyl)methyl]piperidine-1-carboxamide
CID 111438789
ethane;[(1R,2R)-2-phenylcyclopropyl]methanol;zinc
CID 177478174
N-[[2-(3-phenoxyphenyl)cyclopropyl]methyl]propan-2-amine
CID 62708916
2-[(1S,2S)-2-phenylcyclopropyl]propan-1-ol
CID 130128748
(2S)-2-[(3-phenylcyclobutyl)amino]propan-1-ol
CID 93252683
1-(3-ethoxyphenyl)-N-[(2-phenylcyclopropyl)methyl]ethanamine
CID 22111156
N-[(2-naphthalen-2-ylcyclopropyl)methyl]propan-2-amine
CID 62708560
N-[[(1R,2R)-2-phenylcyclopropyl]methyl]pentan-1-amine
CID 124705421

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-phenylcyclopropyl)methylamino]propan-1-ol?
The IUPAC name of (2S)-2-[(2-phenylcyclopropyl)methylamino]propan-1-ol (CID 103880708) is (2S)-2-[(2-phenylcyclopropyl)methylamino]propan-1-ol.
What is the SMILES notation for (2S)-2-[(2-phenylcyclopropyl)methylamino]propan-1-ol?
The canonical SMILES for (2S)-2-[(2-phenylcyclopropyl)methylamino]propan-1-ol is C[C@@H](CO)NCC1CC1c1ccccc1.
What is the InChIKey of (2S)-2-[(2-phenylcyclopropyl)methylamino]propan-1-ol?
The InChIKey is GROREEHLKLSTBK-PKSQDBQZSA-N. The full InChI is InChI=1S/C13H19NO/c1-10(9-15)14-8-12-7-13(12)11-5-3-2-4-6-11/h2-6,10,12-15H,7-9H2,1H3/t10-,12?,13?/m0/s1.
What are the key properties of (2S)-2-[(2-phenylcyclopropyl)methylamino]propan-1-ol?
(2S)-2-[(2-phenylcyclopropyl)methylamino]propan-1-ol has a molecular weight of 205.30 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-phenylcyclopropyl)methylamino]propan-1-ol is sourced from PubChem (CID 103880708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).