(2R)-2-[[cyclopropyl-(4-methylphenyl)methyl]amino]propan-1-ol

C14H21NO — CID 114987207

IUPAC(2R)-2-[[cyclopropyl-(4-methylphenyl)methyl]amino]propan-1-ol
SMILESCc1ccc(C(N[C@H](C)CO)C2CC2)cc1
InChIInChI=1S/C14H21NO/c1-10-3-5-12(6-4-10)14(13-7-8-13)15-11(2)9-16/h3-6,11,13-16H,7-9H2,1-2H3/t11-,14?/m1/s1
InChIKeyINGWGWBAADAXCV-YNODCEANSA-N
MW219.33 g/mol
LogP2.42
Rot. Bonds5

About (2R)-2-[[cyclopropyl-(4-methylphenyl)methyl]amino]propan-1-ol

(2R)-2-[[cyclopropyl-(4-methylphenyl)methyl]amino]propan-1-ol (PubChem CID 114987207) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is (2R)-2-[[cyclopropyl-(4-methylphenyl)methyl]amino]propan-1-ol.

Molecular Properties

Compound Name(2R)-2-[[cyclopropyl-(4-methylphenyl)methyl]amino]propan-1-ol
PubChem CID114987207
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name(2R)-2-[[cyclopropyl-(4-methylphenyl)methyl]amino]propan-1-ol
SMILESCc1ccc(C(N[C@H](C)CO)C2CC2)cc1
InChIInChI=1S/C14H21NO/c1-10-3-5-12(6-4-10)14(13-7-8-13)15-11(2)9-16/h3-6,11,13-16H,7-9H2,1-2H3/t11-,14?/m1/s1
InChIKeyINGWGWBAADAXCV-YNODCEANSA-N
XLogP2.42
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[cyclopropyl-(4-methylphenyl)methyl]amino]-4-methylpentan-1-ol
CID 61246859
1-cyclopropyl-N-[cyclopropyl-(4-methylphenyl)methyl]ethanamine
CID 43776551
N-[cyclopropyl-(4-methylphenyl)methyl]-4-methoxybutan-2-amine
CID 64604426
N-[cyclopropyl-(4-methylphenyl)methyl]-3-methylbutan-2-amine
CID 43773888
(2R)-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]propan-1-ol
CID 93082887
3-cyclopropyl-N-[(2S)-1-hydroxypropan-2-yl]-3-(4-methylphenyl)propanamide
CID 110306942
5-[[cyclopropyl-(4-methylphenyl)methyl]amino]-2-methylpentan-1-ol
CID 103911492
N-[cyclopropyl-(4-fluorophenyl)methyl]-1-(4-methylphenyl)ethanamine
CID 60946052
4-[[cyclopropyl-(4-methylphenyl)methyl]amino]-3-methylbutan-1-ol
CID 66091100
3-[[cyclopropyl-(4-methylphenyl)methyl]amino]-4-methoxybutan-1-ol
CID 103910921
(2S)-2-[[(1S)-1-(4-methylphenyl)propyl]amino]propan-1-ol
CID 93082647
N-[cyclopropyl(phenyl)methyl]-1-(4-methylphenyl)propan-1-amine
CID 43724319

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[cyclopropyl-(4-methylphenyl)methyl]amino]propan-1-ol?
The IUPAC name of (2R)-2-[[cyclopropyl-(4-methylphenyl)methyl]amino]propan-1-ol (CID 114987207) is (2R)-2-[[cyclopropyl-(4-methylphenyl)methyl]amino]propan-1-ol.
What is the SMILES notation for (2R)-2-[[cyclopropyl-(4-methylphenyl)methyl]amino]propan-1-ol?
The canonical SMILES for (2R)-2-[[cyclopropyl-(4-methylphenyl)methyl]amino]propan-1-ol is Cc1ccc(C(N[C@H](C)CO)C2CC2)cc1.
What is the InChIKey of (2R)-2-[[cyclopropyl-(4-methylphenyl)methyl]amino]propan-1-ol?
The InChIKey is INGWGWBAADAXCV-YNODCEANSA-N. The full InChI is InChI=1S/C14H21NO/c1-10-3-5-12(6-4-10)14(13-7-8-13)15-11(2)9-16/h3-6,11,13-16H,7-9H2,1-2H3/t11-,14?/m1/s1.
What are the key properties of (2R)-2-[[cyclopropyl-(4-methylphenyl)methyl]amino]propan-1-ol?
(2R)-2-[[cyclopropyl-(4-methylphenyl)methyl]amino]propan-1-ol has a molecular weight of 219.33 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[cyclopropyl-(4-methylphenyl)methyl]amino]propan-1-ol is sourced from PubChem (CID 114987207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).