2-(cyclopropylmethylamino)-2-(4-methylphenyl)ethanol

C13H19NO — CID 61056447

IUPAC2-(cyclopropylmethylamino)-2-(4-methylphenyl)ethanol
SMILESCc1ccc(C(CO)NCC2CC2)cc1
InChIInChI=1S/C13H19NO/c1-10-2-6-12(7-3-10)13(9-15)14-8-11-4-5-11/h2-3,6-7,11,13-15H,4-5,8-9H2,1H3
InChIKeyXOLOMIDGKIJJSL-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.03
Rot. Bonds5

About 2-(cyclopropylmethylamino)-2-(4-methylphenyl)ethanol

2-(cyclopropylmethylamino)-2-(4-methylphenyl)ethanol (PubChem CID 61056447) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-2-(4-methylphenyl)ethanol.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-2-(4-methylphenyl)ethanol
PubChem CID61056447
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name2-(cyclopropylmethylamino)-2-(4-methylphenyl)ethanol
SMILESCc1ccc(C(CO)NCC2CC2)cc1
InChIInChI=1S/C13H19NO/c1-10-2-6-12(7-3-10)13(9-15)14-8-11-4-5-11/h2-3,6-7,11,13-15H,4-5,8-9H2,1H3
InChIKeyXOLOMIDGKIJJSL-UHFFFAOYSA-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

(2R)-2-(cyclopropylmethylamino)-2-phenylethanol
CID 93471769
2-(4-bromo-3-methylphenyl)-2-(cyclopropylmethylamino)ethanol
CID 66481065
4-[1-(cyclopropylmethylamino)-2-hydroxyethyl]-2,6-dimethylphenol
CID 61055235
2-(cyclopropylmethylamino)-2-[4-(trifluoromethoxy)phenyl]ethanol
CID 61055835
2-(cyclopropylmethylamino)-2-thiophen-3-ylethanol
CID 61054631
2-(cyclopropylmethylamino)-2-(1-methylpyrazol-4-yl)ethanol
CID 61055041
2-(cyclopropylmethylamino)-2-(3,4,5-trimethoxyphenyl)ethanol
CID 61054231
1-(4-methylphenyl)-N-(thian-4-ylmethyl)ethanamine
CID 115720001
N-(cyclopropylmethyl)-1-(4-fluorophenyl)propan-1-amine
CID 43190691
N-(cyclopropylmethyl)-2-[1-(4-methylphenyl)ethylamino]acetamide
CID 54963386
2-(cyclopropylmethylamino)-2-(4-fluoro-2-methylphenyl)ethanol
CID 62134825
2-(cyclopropylmethylamino)-N-[1-(4-methylphenyl)propyl]acetamide;hydrochloride
CID 119687041

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-2-(4-methylphenyl)ethanol?
The IUPAC name of 2-(cyclopropylmethylamino)-2-(4-methylphenyl)ethanol (CID 61056447) is 2-(cyclopropylmethylamino)-2-(4-methylphenyl)ethanol.
What is the SMILES notation for 2-(cyclopropylmethylamino)-2-(4-methylphenyl)ethanol?
The canonical SMILES for 2-(cyclopropylmethylamino)-2-(4-methylphenyl)ethanol is Cc1ccc(C(CO)NCC2CC2)cc1.
What is the InChIKey of 2-(cyclopropylmethylamino)-2-(4-methylphenyl)ethanol?
The InChIKey is XOLOMIDGKIJJSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-10-2-6-12(7-3-10)13(9-15)14-8-11-4-5-11/h2-3,6-7,11,13-15H,4-5,8-9H2,1H3.
What are the key properties of 2-(cyclopropylmethylamino)-2-(4-methylphenyl)ethanol?
2-(cyclopropylmethylamino)-2-(4-methylphenyl)ethanol 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 2-(cyclopropylmethylamino)-2-(4-methylphenyl)ethanol is sourced from PubChem (CID 61056447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).