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

C13H18FNO — CID 62134825

IUPAC2-(cyclopropylmethylamino)-2-(4-fluoro-2-methylphenyl)ethanol
SMILESCc1cc(F)ccc1C(CO)NCC1CC1
InChIInChI=1S/C13H18FNO/c1-9-6-11(14)4-5-12(9)13(8-16)15-7-10-2-3-10/h4-6,10,13,15-16H,2-3,7-8H2,1H3
InChIKeyMPHSAEMGFVQZHG-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.17
Rot. Bonds5

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

2-(cyclopropylmethylamino)-2-(4-fluoro-2-methylphenyl)ethanol (PubChem CID 62134825) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-2-(4-fluoro-2-methylphenyl)ethanol.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-2-(4-fluoro-2-methylphenyl)ethanol
PubChem CID62134825
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name2-(cyclopropylmethylamino)-2-(4-fluoro-2-methylphenyl)ethanol
SMILESCc1cc(F)ccc1C(CO)NCC1CC1
InChIInChI=1S/C13H18FNO/c1-9-6-11(14)4-5-12(9)13(8-16)15-7-10-2-3-10/h4-6,10,13,15-16H,2-3,7-8H2,1H3
InChIKeyMPHSAEMGFVQZHG-UHFFFAOYSA-N
XLogP2.17
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclopropylmethyl)-1-(4-fluoro-2-methylphenyl)ethane-1,2-diamine
CID 65383338
N-(cyclopropylmethyl)-1-(2,4-dimethylphenyl)ethane-1,2-diamine
CID 65384182
4-[1-(cyclopropylmethylamino)-2-hydroxyethyl]-2,6-dimethylphenol
CID 61055235
2-(3-fluoro-5-methylanilino)-2-(4-fluoro-2-methylphenyl)ethanol
CID 79049542
2-(4-bromo-3-methylphenyl)-2-(cyclopropylmethylamino)ethanol
CID 66481065
2-(cyclopropylmethylamino)-2-(4-methylphenyl)ethanol
CID 61056447
N-(2-cyclobutylethyl)-1-(4-fluoro-2-methylphenyl)ethane-1,2-diamine
CID 113478717
2-(2,5-difluorophenyl)-2-(oxolan-2-ylmethylamino)ethanol
CID 61048778
N-[1-(4-fluoro-2-methylphenyl)-2-(oxan-4-yl)ethyl]propan-1-amine
CID 81276755
2-(3-chloroanilino)-2-(4-fluoro-2-methylphenyl)ethanol
CID 55038676
(2R)-2-(cyclopropylmethylamino)-2-phenylethanol
CID 93471769
2-[1-(cyclohexylmethylamino)ethyl]-5-fluorophenol
CID 63065844

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-2-(4-fluoro-2-methylphenyl)ethanol?
The IUPAC name of 2-(cyclopropylmethylamino)-2-(4-fluoro-2-methylphenyl)ethanol (CID 62134825) is 2-(cyclopropylmethylamino)-2-(4-fluoro-2-methylphenyl)ethanol.
What is the SMILES notation for 2-(cyclopropylmethylamino)-2-(4-fluoro-2-methylphenyl)ethanol?
The canonical SMILES for 2-(cyclopropylmethylamino)-2-(4-fluoro-2-methylphenyl)ethanol is Cc1cc(F)ccc1C(CO)NCC1CC1.
What is the InChIKey of 2-(cyclopropylmethylamino)-2-(4-fluoro-2-methylphenyl)ethanol?
The InChIKey is MPHSAEMGFVQZHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-9-6-11(14)4-5-12(9)13(8-16)15-7-10-2-3-10/h4-6,10,13,15-16H,2-3,7-8H2,1H3.
What are the key properties of 2-(cyclopropylmethylamino)-2-(4-fluoro-2-methylphenyl)ethanol?
2-(cyclopropylmethylamino)-2-(4-fluoro-2-methylphenyl)ethanol has a molecular weight of 223.29 g/mol, XLogP of 2.17, 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-fluoro-2-methylphenyl)ethanol is sourced from PubChem (CID 62134825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).