2-[cyclopropylmethyl(ethyl)amino]-1-(2,4-difluorophenyl)ethanol

C14H19F2NO — CID 111118143

IUPAC2-[cyclopropylmethyl(ethyl)amino]-1-(2,4-difluorophenyl)ethanol
SMILESCCN(CC1CC1)CC(O)c1ccc(F)cc1F
InChIInChI=1S/C14H19F2NO/c1-2-17(8-10-3-4-10)9-14(18)12-6-5-11(15)7-13(12)16/h5-7,10,14,18H,2-4,8-9H2,1H3
InChIKeyBCXFCYWTZRTDPJ-UHFFFAOYSA-N
MW255.31 g/mol
LogP2.73
Rot. Bonds6

About 2-[cyclopropylmethyl(ethyl)amino]-1-(2,4-difluorophenyl)ethanol

2-[cyclopropylmethyl(ethyl)amino]-1-(2,4-difluorophenyl)ethanol (PubChem CID 111118143) has the molecular formula C14H19F2NO and a molecular weight of 255.31 g/mol. Its IUPAC name is 2-[cyclopropylmethyl(ethyl)amino]-1-(2,4-difluorophenyl)ethanol.

Molecular Properties

Compound Name2-[cyclopropylmethyl(ethyl)amino]-1-(2,4-difluorophenyl)ethanol
PubChem CID111118143
Molecular FormulaC14H19F2NO
Molecular Weight255.31 g/mol
Exact Mass255.14
IUPAC Name2-[cyclopropylmethyl(ethyl)amino]-1-(2,4-difluorophenyl)ethanol
SMILESCCN(CC1CC1)CC(O)c1ccc(F)cc1F
InChIInChI=1S/C14H19F2NO/c1-2-17(8-10-3-4-10)9-14(18)12-6-5-11(15)7-13(12)16/h5-7,10,14,18H,2-4,8-9H2,1H3
InChIKeyBCXFCYWTZRTDPJ-UHFFFAOYSA-N
XLogP2.73
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[cyclopropyl(ethyl)amino]-1-(2,4-difluorophenyl)ethanol
CID 110897810
1-(2-chlorophenyl)-2-[cyclopropylmethyl(ethyl)amino]ethanol
CID 111118134
2-[bis(cyclopropylmethyl)amino]-1-(2-fluorophenyl)ethanol
CID 103670661
methyl 3-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]-ethylamino]propanoate
CID 110910651
2-[ethyl(oxolan-2-ylmethyl)amino]-1-(4-fluoro-2-methylphenyl)ethanol
CID 111565145
2-[1-cyclopropylethyl(methyl)amino]-1-(2,4-difluorophenyl)ethanol
CID 110897757
1-(2,5-difluorophenyl)-2-[ethyl(2-hydroxyethyl)amino]ethanol
CID 82217059
2-[bis(prop-2-ynyl)amino]-1-(2,4-difluorophenyl)ethanol
CID 111490393
2-[cyclopropyl(2,2-difluoroethyl)amino]-1-(2,4-difluorophenyl)ethanol
CID 111107126
2-[cyclopropylmethyl(propyl)amino]-1-(4-fluorophenyl)ethanol
CID 110883262
1-(4-aminophenyl)-2-[cyclopropylmethyl(ethyl)amino]ethanol
CID 63954700
2-[cyclopropylmethyl(ethyl)amino]-1-(4-ethoxyphenyl)ethanol
CID 63954434

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl(ethyl)amino]-1-(2,4-difluorophenyl)ethanol?
The IUPAC name of 2-[cyclopropylmethyl(ethyl)amino]-1-(2,4-difluorophenyl)ethanol (CID 111118143) is 2-[cyclopropylmethyl(ethyl)amino]-1-(2,4-difluorophenyl)ethanol.
What is the SMILES notation for 2-[cyclopropylmethyl(ethyl)amino]-1-(2,4-difluorophenyl)ethanol?
The canonical SMILES for 2-[cyclopropylmethyl(ethyl)amino]-1-(2,4-difluorophenyl)ethanol is CCN(CC1CC1)CC(O)c1ccc(F)cc1F.
What is the InChIKey of 2-[cyclopropylmethyl(ethyl)amino]-1-(2,4-difluorophenyl)ethanol?
The InChIKey is BCXFCYWTZRTDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO/c1-2-17(8-10-3-4-10)9-14(18)12-6-5-11(15)7-13(12)16/h5-7,10,14,18H,2-4,8-9H2,1H3.
What are the key properties of 2-[cyclopropylmethyl(ethyl)amino]-1-(2,4-difluorophenyl)ethanol?
2-[cyclopropylmethyl(ethyl)amino]-1-(2,4-difluorophenyl)ethanol has a molecular weight of 255.31 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl(ethyl)amino]-1-(2,4-difluorophenyl)ethanol is sourced from PubChem (CID 111118143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).