(2R)-2-[(1-cyclopropyl-2-phenylethyl)amino]propan-1-ol

C14H21NO — CID 103778498

IUPAC(2R)-2-[(1-cyclopropyl-2-phenylethyl)amino]propan-1-ol
SMILESC[C@H](CO)NC(Cc1ccccc1)C1CC1
InChIInChI=1S/C14H21NO/c1-11(10-16)15-14(13-7-8-13)9-12-5-3-2-4-6-12/h2-6,11,13-16H,7-10H2,1H3/t11-,14?/m1/s1
InChIKeyHJFZDFFUUQIDQX-YNODCEANSA-N
MW219.33 g/mol
LogP1.98
Rot. Bonds6

About (2R)-2-[(1-cyclopropyl-2-phenylethyl)amino]propan-1-ol

(2R)-2-[(1-cyclopropyl-2-phenylethyl)amino]propan-1-ol (PubChem CID 103778498) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is (2R)-2-[(1-cyclopropyl-2-phenylethyl)amino]propan-1-ol.

Molecular Properties

Compound Name(2R)-2-[(1-cyclopropyl-2-phenylethyl)amino]propan-1-ol
PubChem CID103778498
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name(2R)-2-[(1-cyclopropyl-2-phenylethyl)amino]propan-1-ol
SMILESC[C@H](CO)NC(Cc1ccccc1)C1CC1
InChIInChI=1S/C14H21NO/c1-11(10-16)15-14(13-7-8-13)9-12-5-3-2-4-6-12/h2-6,11,13-16H,7-10H2,1H3/t11-,14?/m1/s1
InChIKeyHJFZDFFUUQIDQX-YNODCEANSA-N
XLogP1.98
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(1-cyclobutylpropan-2-ylamino)-3-phenylpropan-1-ol
CID 102613762
(2R)-2-(1,2-diphenylethylamino)propan-1-ol
CID 114986946
(2S)-3-phenyl-2-(1-phenylpropan-2-ylamino)propan-1-ol
CID 107862363
2-cyclopropyl-2-[[(1S)-1-phenylethyl]amino]ethanol
CID 67102510
1-cyclopropyl-N-(2-methylsulfanylethyl)-2-phenylethanamine
CID 115706143
(2S)-2-(1-hydroxypropan-2-ylamino)-3-phenylpropanenitrile
CID 67860910
N-(1-cyclopropyl-2-phenylethyl)prop-2-yn-1-amine
CID 115706886
N-[1-[(1-cyclopropyl-2-phenylethyl)amino]-3-hydroxy-1-oxobutan-2-yl]cyclopropanecarboxamide
CID 110014691
(2S)-2-(3-methylbutan-2-ylamino)-3-phenylpropan-1-ol
CID 102613770
1-[(1R)-1-cyclopropyl-2-phenylethyl]-3-methoxyurea
CID 95632300
N-(1-cyclopentyl-2-phenylethyl)-2-methyl-3-methylsulfanylpropanamide
CID 86902888
(2R)-2-(1-cyclopentylpropan-2-ylamino)-3-phenylpropanoic acid
CID 122037865

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1-cyclopropyl-2-phenylethyl)amino]propan-1-ol?
The IUPAC name of (2R)-2-[(1-cyclopropyl-2-phenylethyl)amino]propan-1-ol (CID 103778498) is (2R)-2-[(1-cyclopropyl-2-phenylethyl)amino]propan-1-ol.
What is the SMILES notation for (2R)-2-[(1-cyclopropyl-2-phenylethyl)amino]propan-1-ol?
The canonical SMILES for (2R)-2-[(1-cyclopropyl-2-phenylethyl)amino]propan-1-ol is C[C@H](CO)NC(Cc1ccccc1)C1CC1.
What is the InChIKey of (2R)-2-[(1-cyclopropyl-2-phenylethyl)amino]propan-1-ol?
The InChIKey is HJFZDFFUUQIDQX-YNODCEANSA-N. The full InChI is InChI=1S/C14H21NO/c1-11(10-16)15-14(13-7-8-13)9-12-5-3-2-4-6-12/h2-6,11,13-16H,7-10H2,1H3/t11-,14?/m1/s1.
What are the key properties of (2R)-2-[(1-cyclopropyl-2-phenylethyl)amino]propan-1-ol?
(2R)-2-[(1-cyclopropyl-2-phenylethyl)amino]propan-1-ol has a molecular weight of 219.33 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1-cyclopropyl-2-phenylethyl)amino]propan-1-ol is sourced from PubChem (CID 103778498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).