2-[cyclopropylmethyl(methyl)amino]-1-phenylethanol

C13H19NO — CID 60971117

IUPAC2-[cyclopropylmethyl(methyl)amino]-1-phenylethanol
SMILESCN(CC1CC1)CC(O)c1ccccc1
InChIInChI=1S/C13H19NO/c1-14(9-11-7-8-11)10-13(15)12-5-3-2-4-6-12/h2-6,11,13,15H,7-10H2,1H3
InChIKeyAJMQGVBRTSTMJV-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.06
Rot. Bonds5

About 2-[cyclopropylmethyl(methyl)amino]-1-phenylethanol

2-[cyclopropylmethyl(methyl)amino]-1-phenylethanol (PubChem CID 60971117) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 2-[cyclopropylmethyl(methyl)amino]-1-phenylethanol.

Molecular Properties

Compound Name2-[cyclopropylmethyl(methyl)amino]-1-phenylethanol
PubChem CID60971117
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name2-[cyclopropylmethyl(methyl)amino]-1-phenylethanol
SMILESCN(CC1CC1)CC(O)c1ccccc1
InChIInChI=1S/C13H19NO/c1-14(9-11-7-8-11)10-13(15)12-5-3-2-4-6-12/h2-6,11,13,15H,7-10H2,1H3
InChIKeyAJMQGVBRTSTMJV-UHFFFAOYSA-N
XLogP2.06
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[cyclopropylmethyl(methyl)amino]-1-(4-propan-2-ylphenyl)ethanol
CID 54949329
(1R)-2-[[(1S)-cyclohex-3-en-1-yl]methyl-methylamino]-1-phenylethanol
CID 7074499
4-[2-[cyclopropylmethyl(methyl)amino]-1-hydroxyethyl]benzonitrile
CID 54884021
2-[cyclopropylmethyl(methyl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol
CID 54949285
2-[cyclobutylmethyl(methyl)amino]-1-(4-propan-2-ylphenyl)ethanol
CID 55125907
(1S)-2-[methyl-[(2S)-2-phenylpropyl]amino]-1-phenylethanol
CID 40768444
(1R)-2-[cyclopropylmethyl(propyl)amino]-1-phenylethanol
CID 2416449
1-(3-aminophenyl)-2-[methyl(oxan-4-ylmethyl)amino]ethanol
CID 63725224
1-[4-(aminomethyl)phenyl]-2-[cyclobutylmethyl(methyl)amino]ethanol
CID 62860027
methyl 3-[cyclopropylmethyl(methyl)amino]-2-phenylpropanoate
CID 64566456
2-[cyclopentylmethyl(methyl)amino]-1-(4-propylphenyl)ethanol
CID 63631981
4-[2-[cyclobutylmethyl(methyl)amino]-1-hydroxyethyl]benzonitrile
CID 62861851

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl(methyl)amino]-1-phenylethanol?
The IUPAC name of 2-[cyclopropylmethyl(methyl)amino]-1-phenylethanol (CID 60971117) is 2-[cyclopropylmethyl(methyl)amino]-1-phenylethanol.
What is the SMILES notation for 2-[cyclopropylmethyl(methyl)amino]-1-phenylethanol?
The canonical SMILES for 2-[cyclopropylmethyl(methyl)amino]-1-phenylethanol is CN(CC1CC1)CC(O)c1ccccc1.
What is the InChIKey of 2-[cyclopropylmethyl(methyl)amino]-1-phenylethanol?
The InChIKey is AJMQGVBRTSTMJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-14(9-11-7-8-11)10-13(15)12-5-3-2-4-6-12/h2-6,11,13,15H,7-10H2,1H3.
What are the key properties of 2-[cyclopropylmethyl(methyl)amino]-1-phenylethanol?
2-[cyclopropylmethyl(methyl)amino]-1-phenylethanol has a molecular weight of 205.30 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl(methyl)amino]-1-phenylethanol is sourced from PubChem (CID 60971117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).