1-[2-[cyclopropyl(cyclopropylmethyl)amino]-5-fluorophenyl]ethanol

C15H20FNO — CID 64520190

IUPAC1-[2-[cyclopropyl(cyclopropylmethyl)amino]-5-fluorophenyl]ethanol
SMILESCC(O)c1cc(F)ccc1N(CC1CC1)C1CC1
InChIInChI=1S/C15H20FNO/c1-10(18)14-8-12(16)4-7-15(14)17(13-5-6-13)9-11-2-3-11/h4,7-8,10-11,13,18H,2-3,5-6,9H2,1H3
InChIKeyMKOMKDHIEGPNHC-UHFFFAOYSA-N
MW249.33 g/mol
LogP3.26
Rot. Bonds5

About 1-[2-[cyclopropyl(cyclopropylmethyl)amino]-5-fluorophenyl]ethanol

1-[2-[cyclopropyl(cyclopropylmethyl)amino]-5-fluorophenyl]ethanol (PubChem CID 64520190) has the molecular formula C15H20FNO and a molecular weight of 249.33 g/mol. Its IUPAC name is 1-[2-[cyclopropyl(cyclopropylmethyl)amino]-5-fluorophenyl]ethanol.

Molecular Properties

Compound Name1-[2-[cyclopropyl(cyclopropylmethyl)amino]-5-fluorophenyl]ethanol
PubChem CID64520190
Molecular FormulaC15H20FNO
Molecular Weight249.33 g/mol
Exact Mass249.15
IUPAC Name1-[2-[cyclopropyl(cyclopropylmethyl)amino]-5-fluorophenyl]ethanol
SMILESCC(O)c1cc(F)ccc1N(CC1CC1)C1CC1
InChIInChI=1S/C15H20FNO/c1-10(18)14-8-12(16)4-7-15(14)17(13-5-6-13)9-11-2-3-11/h4,7-8,10-11,13,18H,2-3,5-6,9H2,1H3
InChIKeyMKOMKDHIEGPNHC-UHFFFAOYSA-N
XLogP3.26
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[cyclopropyl(ethyl)amino]-5-fluorophenyl]ethanol
CID 43506129
(1R)-1-[4-[cyclopropyl(cyclopropylmethyl)amino]-3-fluorophenyl]ethanol
CID 64521778
(1R)-1-[2-[cyclopentyl(2-hydroxyethyl)amino]-5-fluorophenyl]ethanol
CID 63372730
1-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]-5-fluorophenyl]ethanol
CID 61434629
(1R)-1-[3-chloro-4-[cyclopropyl(cyclopropylmethyl)amino]phenyl]ethanol
CID 64519994
1-[2-[cycloheptyl(methyl)amino]-5-fluorophenyl]ethanol
CID 43614231
1-[5-fluoro-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]phenyl]ethanol
CID 55172587
2-[(1R)-1-aminoethyl]-N-cyclopropyl-4-fluoro-N-propylaniline
CID 55190464
(1R)-1-[2-[bis(2-methylpropyl)amino]-5-fluorophenyl]ethanol
CID 55184479
2-[N-cyclopropyl-2-[1-(ethylamino)ethyl]-4-fluoroanilino]ethanol
CID 54995199
N-cyclopropyl-N-(cyclopropylmethyl)-2-fluoro-4-[(propan-2-ylamino)methyl]aniline
CID 64520411
4-(2-aminopropyl)-N-cyclopropyl-N-(cyclopropylmethyl)-2-fluoroaniline
CID 64521103

Frequently Asked Questions

What is the IUPAC name of 1-[2-[cyclopropyl(cyclopropylmethyl)amino]-5-fluorophenyl]ethanol?
The IUPAC name of 1-[2-[cyclopropyl(cyclopropylmethyl)amino]-5-fluorophenyl]ethanol (CID 64520190) is 1-[2-[cyclopropyl(cyclopropylmethyl)amino]-5-fluorophenyl]ethanol.
What is the SMILES notation for 1-[2-[cyclopropyl(cyclopropylmethyl)amino]-5-fluorophenyl]ethanol?
The canonical SMILES for 1-[2-[cyclopropyl(cyclopropylmethyl)amino]-5-fluorophenyl]ethanol is CC(O)c1cc(F)ccc1N(CC1CC1)C1CC1.
What is the InChIKey of 1-[2-[cyclopropyl(cyclopropylmethyl)amino]-5-fluorophenyl]ethanol?
The InChIKey is MKOMKDHIEGPNHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO/c1-10(18)14-8-12(16)4-7-15(14)17(13-5-6-13)9-11-2-3-11/h4,7-8,10-11,13,18H,2-3,5-6,9H2,1H3.
What are the key properties of 1-[2-[cyclopropyl(cyclopropylmethyl)amino]-5-fluorophenyl]ethanol?
1-[2-[cyclopropyl(cyclopropylmethyl)amino]-5-fluorophenyl]ethanol has a molecular weight of 249.33 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[cyclopropyl(cyclopropylmethyl)amino]-5-fluorophenyl]ethanol is sourced from PubChem (CID 64520190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).