4-[(4-fluorophenyl)methyl-methylamino]-3-(propylamino)butan-1-ol

C15H25FN2O — CID 64900549

IUPAC4-[(4-fluorophenyl)methyl-methylamino]-3-(propylamino)butan-1-ol
SMILESCCCNC(CCO)CN(C)Cc1ccc(F)cc1
InChIInChI=1S/C15H25FN2O/c1-3-9-17-15(8-10-19)12-18(2)11-13-4-6-14(16)7-5-13/h4-7,15,17,19H,3,8-12H2,1-2H3
InChIKeyKWLPZKPFRQERJH-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.01
Rot. Bonds9

About 4-[(4-fluorophenyl)methyl-methylamino]-3-(propylamino)butan-1-ol

4-[(4-fluorophenyl)methyl-methylamino]-3-(propylamino)butan-1-ol (PubChem CID 64900549) has the molecular formula C15H25FN2O and a molecular weight of 268.38 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methyl-methylamino]-3-(propylamino)butan-1-ol.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methyl-methylamino]-3-(propylamino)butan-1-ol
PubChem CID64900549
Molecular FormulaC15H25FN2O
Molecular Weight268.38 g/mol
Exact Mass268.20
IUPAC Name4-[(4-fluorophenyl)methyl-methylamino]-3-(propylamino)butan-1-ol
SMILESCCCNC(CCO)CN(C)Cc1ccc(F)cc1
InChIInChI=1S/C15H25FN2O/c1-3-9-17-15(8-10-19)12-18(2)11-13-4-6-14(16)7-5-13/h4-7,15,17,19H,3,8-12H2,1-2H3
InChIKeyKWLPZKPFRQERJH-UHFFFAOYSA-N
XLogP2.01
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-[(4-methoxyphenyl)methyl]-1-N-methyl-2-N-propylbutane-1,2-diamine
CID 62040558
1,3-bis(4-fluorophenyl)-N-propylpropan-2-amine
CID 60818688
1-N-[(4-fluorophenyl)methyl]-1-N,4,4-trimethyl-3-N-propylpentane-1,3-diamine
CID 62622855
4-(diethylamino)-3-(propylamino)butan-1-ol
CID 64898153
4-[cyclohexyl(methyl)amino]-3-(propylamino)butan-1-ol
CID 64899882
4-N-[(4-fluorophenyl)methyl]-4-N-methyl-2-N-propylpentane-2,4-diamine
CID 64707610
4-[(1-ethylpiperidin-4-yl)-methylamino]-3-(propylamino)butan-1-ol
CID 64898823
1-(4-fluorophenyl)-N-propylheptan-2-amine
CID 55187752
4-(2,5-difluorophenoxy)-3-(propylamino)butan-1-ol
CID 64898653
N-[(4-fluorophenyl)methyl]-N,N',2-trimethylpropane-1,3-diamine
CID 62412873
5,5,5-trifluoro-1-(4-fluorophenyl)-N-propylpentan-2-amine
CID 64564942
4-[methyl(4-methylpentan-2-yl)amino]-3-(propylamino)butan-1-ol
CID 64900556

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methyl-methylamino]-3-(propylamino)butan-1-ol?
The IUPAC name of 4-[(4-fluorophenyl)methyl-methylamino]-3-(propylamino)butan-1-ol (CID 64900549) is 4-[(4-fluorophenyl)methyl-methylamino]-3-(propylamino)butan-1-ol.
What is the SMILES notation for 4-[(4-fluorophenyl)methyl-methylamino]-3-(propylamino)butan-1-ol?
The canonical SMILES for 4-[(4-fluorophenyl)methyl-methylamino]-3-(propylamino)butan-1-ol is CCCNC(CCO)CN(C)Cc1ccc(F)cc1.
What is the InChIKey of 4-[(4-fluorophenyl)methyl-methylamino]-3-(propylamino)butan-1-ol?
The InChIKey is KWLPZKPFRQERJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN2O/c1-3-9-17-15(8-10-19)12-18(2)11-13-4-6-14(16)7-5-13/h4-7,15,17,19H,3,8-12H2,1-2H3.
What are the key properties of 4-[(4-fluorophenyl)methyl-methylamino]-3-(propylamino)butan-1-ol?
4-[(4-fluorophenyl)methyl-methylamino]-3-(propylamino)butan-1-ol has a molecular weight of 268.38 g/mol, XLogP of 2.01, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methyl-methylamino]-3-(propylamino)butan-1-ol is sourced from PubChem (CID 64900549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).