2-(cyclopropylamino)-4-(N-ethyl-4-fluoroanilino)butan-1-ol

C15H23FN2O — CID 64791325

IUPAC2-(cyclopropylamino)-4-(N-ethyl-4-fluoroanilino)butan-1-ol
SMILESCCN(CCC(CO)NC1CC1)c1ccc(F)cc1
InChIInChI=1S/C15H23FN2O/c1-2-18(15-7-3-12(16)4-8-15)10-9-14(11-19)17-13-5-6-13/h3-4,7-8,13-14,17,19H,2,5-6,9-11H2,1H3
InChIKeyISIGINPQZWZYNT-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.15
Rot. Bonds8

About 2-(cyclopropylamino)-4-(N-ethyl-4-fluoroanilino)butan-1-ol

2-(cyclopropylamino)-4-(N-ethyl-4-fluoroanilino)butan-1-ol (PubChem CID 64791325) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is 2-(cyclopropylamino)-4-(N-ethyl-4-fluoroanilino)butan-1-ol.

Molecular Properties

Compound Name2-(cyclopropylamino)-4-(N-ethyl-4-fluoroanilino)butan-1-ol
PubChem CID64791325
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name2-(cyclopropylamino)-4-(N-ethyl-4-fluoroanilino)butan-1-ol
SMILESCCN(CCC(CO)NC1CC1)c1ccc(F)cc1
InChIInChI=1S/C15H23FN2O/c1-2-18(15-7-3-12(16)4-8-15)10-9-14(11-19)17-13-5-6-13/h3-4,7-8,13-14,17,19H,2,5-6,9-11H2,1H3
InChIKeyISIGINPQZWZYNT-UHFFFAOYSA-N
XLogP2.15
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylamino)-5-(N-ethyl-4-fluoroanilino)-2-methylpentan-1-ol
CID 64789739
1-cyclopropyl-2-(N-ethyl-4-fluoroanilino)ethanol
CID 63908117
N-cyclohexyl-N'-ethyl-N'-(4-fluorophenyl)ethane-1,2-diamine
CID 62575307
2-(cyclopropylamino)-4-(N-ethylanilino)butanoic acid
CID 63027827
4-[cyclopentyl(ethyl)amino]-2-(cyclopropylamino)butan-1-ol
CID 64795522
4-(N-ethyl-4-fluoroanilino)-2-(methylamino)butanoic acid
CID 55145679
N'-ethyl-N'-(4-fluorophenyl)-2-methylbutane-1,4-diamine
CID 81080487
N,N-diethyl-4-fluoroaniline
CID 592416
2-amino-4-(N-ethyl-4-fluoroanilino)butanamide
CID 63054688
2-(cyclopropylamino)-4-(5-fluoro-2-methylphenoxy)butan-1-ol
CID 102988049
6-(N-ethyl-4-fluoroanilino)hexan-1-ol
CID 103738482
2-(cyclopropylamino)-3-(3-fluoro-N-methylanilino)propan-1-ol
CID 64789581

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-4-(N-ethyl-4-fluoroanilino)butan-1-ol?
The IUPAC name of 2-(cyclopropylamino)-4-(N-ethyl-4-fluoroanilino)butan-1-ol (CID 64791325) is 2-(cyclopropylamino)-4-(N-ethyl-4-fluoroanilino)butan-1-ol.
What is the SMILES notation for 2-(cyclopropylamino)-4-(N-ethyl-4-fluoroanilino)butan-1-ol?
The canonical SMILES for 2-(cyclopropylamino)-4-(N-ethyl-4-fluoroanilino)butan-1-ol is CCN(CCC(CO)NC1CC1)c1ccc(F)cc1.
What is the InChIKey of 2-(cyclopropylamino)-4-(N-ethyl-4-fluoroanilino)butan-1-ol?
The InChIKey is ISIGINPQZWZYNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-2-18(15-7-3-12(16)4-8-15)10-9-14(11-19)17-13-5-6-13/h3-4,7-8,13-14,17,19H,2,5-6,9-11H2,1H3.
What are the key properties of 2-(cyclopropylamino)-4-(N-ethyl-4-fluoroanilino)butan-1-ol?
2-(cyclopropylamino)-4-(N-ethyl-4-fluoroanilino)butan-1-ol has a molecular weight of 266.36 g/mol, XLogP of 2.15, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-4-(N-ethyl-4-fluoroanilino)butan-1-ol is sourced from PubChem (CID 64791325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).