(2R)-2-[(4-cyclopropylphenyl)methylamino]propan-1-ol

C13H19NO — CID 114985652

IUPAC(2R)-2-[(4-cyclopropylphenyl)methylamino]propan-1-ol
SMILESC[C@H](CO)NCc1ccc(C2CC2)cc1
InChIInChI=1S/C13H19NO/c1-10(9-15)14-8-11-2-4-12(5-3-11)13-6-7-13/h2-5,10,13-15H,6-9H2,1H3/t10-/m1/s1
InChIKeyUSRBEAHIHJQQSR-SNVBAGLBSA-N
MW205.30 g/mol
LogP2.03
Rot. Bonds5

About (2R)-2-[(4-cyclopropylphenyl)methylamino]propan-1-ol

(2R)-2-[(4-cyclopropylphenyl)methylamino]propan-1-ol (PubChem CID 114985652) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is (2R)-2-[(4-cyclopropylphenyl)methylamino]propan-1-ol.

Molecular Properties

Compound Name(2R)-2-[(4-cyclopropylphenyl)methylamino]propan-1-ol
PubChem CID114985652
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name(2R)-2-[(4-cyclopropylphenyl)methylamino]propan-1-ol
SMILESC[C@H](CO)NCc1ccc(C2CC2)cc1
InChIInChI=1S/C13H19NO/c1-10(9-15)14-8-11-2-4-12(5-3-11)13-6-7-13/h2-5,10,13-15H,6-9H2,1H3/t10-/m1/s1
InChIKeyUSRBEAHIHJQQSR-SNVBAGLBSA-N
XLogP2.03
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 ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-cyclopropylphenyl)methyl]propan-2-amine
CID 62491335
1-cyclopropyl-N-[(4-cyclopropylphenyl)methyl]ethanamine
CID 79979277
4-[(1-hydroxypropan-2-ylamino)methyl]phenol
CID 43499774
N-[(4-cyclopropylphenyl)methyl]-1-ethoxypropan-2-amine
CID 79979236
(2S)-2-[[4-(dimethylamino)phenyl]methylamino]propan-1-ol
CID 93083040
2-[[4-(methylsulfanylmethyl)phenyl]methylamino]propan-1-ol
CID 165446376
2-[[4-(dimethylamino)phenyl]methylamino]propan-1-ol
CID 43499772
2-[[4-(trifluoromethyl)phenyl]methylamino]propan-1-ol
CID 43499702
(2R)-2-[(4-cyclopropylphenyl)methylamino]-2-phenylethanol
CID 107862540
N-[(4-cyclopropylphenyl)methyl]-2-methylpropan-1-amine
CID 79979534
(1S)-N-[(4-cyclopropylphenyl)methyl]-1-phenylethanamine
CID 81351295
2-[(4-cyclopropylphenyl)methylamino]-N,N-dimethylpropanamide
CID 79979065

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-cyclopropylphenyl)methylamino]propan-1-ol?
The IUPAC name of (2R)-2-[(4-cyclopropylphenyl)methylamino]propan-1-ol (CID 114985652) is (2R)-2-[(4-cyclopropylphenyl)methylamino]propan-1-ol.
What is the SMILES notation for (2R)-2-[(4-cyclopropylphenyl)methylamino]propan-1-ol?
The canonical SMILES for (2R)-2-[(4-cyclopropylphenyl)methylamino]propan-1-ol is C[C@H](CO)NCc1ccc(C2CC2)cc1.
What is the InChIKey of (2R)-2-[(4-cyclopropylphenyl)methylamino]propan-1-ol?
The InChIKey is USRBEAHIHJQQSR-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H19NO/c1-10(9-15)14-8-11-2-4-12(5-3-11)13-6-7-13/h2-5,10,13-15H,6-9H2,1H3/t10-/m1/s1.
What are the key properties of (2R)-2-[(4-cyclopropylphenyl)methylamino]propan-1-ol?
(2R)-2-[(4-cyclopropylphenyl)methylamino]propan-1-ol has a molecular weight of 205.30 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-cyclopropylphenyl)methylamino]propan-1-ol is sourced from PubChem (CID 114985652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).