1-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-3-(dimethylamino)-2-methylpropan-2-ol

C16H25FN2O — CID 103911427

IUPAC1-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-3-(dimethylamino)-2-methylpropan-2-ol
SMILESCN(C)CC(C)(O)CNC(c1ccc(F)cc1)C1CC1
InChIInChI=1S/C16H25FN2O/c1-16(20,11-19(2)3)10-18-15(12-4-5-12)13-6-8-14(17)9-7-13/h6-9,12,15,18,20H,4-5,10-11H2,1-3H3
InChIKeyKWFASTDWDOQHNY-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.18
Rot. Bonds7

About 1-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-3-(dimethylamino)-2-methylpropan-2-ol

1-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-3-(dimethylamino)-2-methylpropan-2-ol (PubChem CID 103911427) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is 1-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-3-(dimethylamino)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-3-(dimethylamino)-2-methylpropan-2-ol
PubChem CID103911427
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC Name1-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-3-(dimethylamino)-2-methylpropan-2-ol
SMILESCN(C)CC(C)(O)CNC(c1ccc(F)cc1)C1CC1
InChIInChI=1S/C16H25FN2O/c1-16(20,11-19(2)3)10-18-15(12-4-5-12)13-6-8-14(17)9-7-13/h6-9,12,15,18,20H,4-5,10-11H2,1-3H3
InChIKeyKWFASTDWDOQHNY-UHFFFAOYSA-N
XLogP2.18
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-3-(dimethylamino)-2-methylpropan-2-ol with MolForge

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Related Compounds

N-[cyclopropyl-(4-methylphenyl)methyl]-N',N',2,2-tetramethylpropane-1,3-diamine
CID 43758900
3-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-2,2-difluoropropan-1-ol
CID 104860682
N-[cyclopropyl-(4-fluorophenyl)methyl]-2-ethoxy-2-methylpropan-1-amine
CID 114940856
N-tert-butyl-2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]acetamide
CID 115356216
3-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-N,N-dimethylpropanamide
CID 54934632
1-(1-cyclopropylpropylamino)-3-(dimethylamino)-2-methylpropan-2-ol
CID 115895807
1-cyclopropyl-N-(cyclopropylmethyl)-1-(4-fluorophenyl)methanamine
CID 43756811
N-[cyclopropyl-(4-fluorophenyl)methyl]-2,3-dimethylbutan-1-amine
CID 64570678
N-[cyclopropyl-(4-fluorophenyl)methyl]-N',N'-diethylethane-1,2-diamine
CID 43761828
N-[(4-fluorophenyl)-(oxan-4-yl)methyl]ethanamine
CID 62906192
5-[[cyclopropyl-(4-fluorophenyl)methyl]amino]pentan-2-ol
CID 107270462
1-[1-(2-chloro-4-fluorophenyl)ethylamino]-3-(dimethylamino)-2-methylpropan-2-ol
CID 103904335

Frequently Asked Questions

What is the IUPAC name of 1-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-3-(dimethylamino)-2-methylpropan-2-ol?
The IUPAC name of 1-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-3-(dimethylamino)-2-methylpropan-2-ol (CID 103911427) is 1-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-3-(dimethylamino)-2-methylpropan-2-ol.
What is the SMILES notation for 1-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-3-(dimethylamino)-2-methylpropan-2-ol?
The canonical SMILES for 1-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-3-(dimethylamino)-2-methylpropan-2-ol is CN(C)CC(C)(O)CNC(c1ccc(F)cc1)C1CC1.
What is the InChIKey of 1-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-3-(dimethylamino)-2-methylpropan-2-ol?
The InChIKey is KWFASTDWDOQHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-16(20,11-19(2)3)10-18-15(12-4-5-12)13-6-8-14(17)9-7-13/h6-9,12,15,18,20H,4-5,10-11H2,1-3H3.
What are the key properties of 1-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-3-(dimethylamino)-2-methylpropan-2-ol?
1-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-3-(dimethylamino)-2-methylpropan-2-ol has a molecular weight of 280.39 g/mol, XLogP of 2.18, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-3-(dimethylamino)-2-methylpropan-2-ol is sourced from PubChem (CID 103911427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).