N-[[2-fluoro-5-[(propan-2-ylamino)methyl]phenyl]methyl]-N,2-dimethylbutan-2-amine

C17H29FN2 — CID 107455111

IUPACN-[[2-fluoro-5-[(propan-2-ylamino)methyl]phenyl]methyl]-N,2-dimethylbutan-2-amine
SMILESCCC(C)(C)N(C)Cc1cc(CNC(C)C)ccc1F
InChIInChI=1S/C17H29FN2/c1-7-17(4,5)20(6)12-15-10-14(8-9-16(15)18)11-19-13(2)3/h8-10,13,19H,7,11-12H2,1-6H3
InChIKeyUSPXXYRJMDGERD-UHFFFAOYSA-N
MW280.43 g/mol
LogP3.94
Rot. Bonds7

About N-[[2-fluoro-5-[(propan-2-ylamino)methyl]phenyl]methyl]-N,2-dimethylbutan-2-amine

N-[[2-fluoro-5-[(propan-2-ylamino)methyl]phenyl]methyl]-N,2-dimethylbutan-2-amine (PubChem CID 107455111) has the molecular formula C17H29FN2 and a molecular weight of 280.43 g/mol. Its IUPAC name is N-[[2-fluoro-5-[(propan-2-ylamino)methyl]phenyl]methyl]-N,2-dimethylbutan-2-amine.

Molecular Properties

Compound NameN-[[2-fluoro-5-[(propan-2-ylamino)methyl]phenyl]methyl]-N,2-dimethylbutan-2-amine
PubChem CID107455111
Molecular FormulaC17H29FN2
Molecular Weight280.43 g/mol
Exact Mass280.23
IUPAC NameN-[[2-fluoro-5-[(propan-2-ylamino)methyl]phenyl]methyl]-N,2-dimethylbutan-2-amine
SMILESCCC(C)(C)N(C)Cc1cc(CNC(C)C)ccc1F
InChIInChI=1S/C17H29FN2/c1-7-17(4,5)20(6)12-15-10-14(8-9-16(15)18)11-19-13(2)3/h8-10,13,19H,7,11-12H2,1-6H3
InChIKeyUSPXXYRJMDGERD-UHFFFAOYSA-N
XLogP3.94
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.43
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-methoxy-5-[(propan-2-ylamino)methyl]phenyl]methyl]-N,2-dimethylbutan-2-amine
CID 63982927
N-[[2-fluoro-5-[(propan-2-ylamino)methyl]phenyl]methyl]-N,2-dimethylbutan-1-amine
CID 107454209
N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N,2-dimethylbutan-2-amine
CID 107878479
N-[[2-fluoro-5-[(propan-2-ylamino)methyl]phenyl]methyl]-N-methyl-1-methylsulfanylbutan-2-amine
CID 107455604
N-[[2-fluoro-5-[(propan-2-ylamino)methyl]phenyl]methyl]-2-methyl-N-prop-2-enylpropan-2-amine
CID 107455541
N-[[3-[[ethyl(prop-2-enyl)amino]methyl]-4-fluorophenyl]methyl]propan-2-amine
CID 107455498
2-fluoro-N,N-dimethyl-5-[(propan-2-ylamino)methyl]aniline
CID 84753813
N-[[3-[[ethyl(prop-2-ynyl)amino]methyl]-4-fluorophenyl]methyl]propan-2-amine
CID 107455460
N-[[2-fluoro-5-[(propan-2-ylamino)methyl]phenyl]methyl]-N-methyloxan-4-amine
CID 107454373
N,2-dimethyl-N-[2-[4-[(propan-2-ylamino)methyl]phenoxy]ethyl]butan-2-amine
CID 63966983
N-[[4-fluoro-3-(pentan-2-yloxymethyl)phenyl]methyl]propan-2-amine
CID 107457998
N-[(4-tert-butyl-3-fluorophenyl)methyl]propan-2-amine
CID 158055117

Frequently Asked Questions

What is the IUPAC name of N-[[2-fluoro-5-[(propan-2-ylamino)methyl]phenyl]methyl]-N,2-dimethylbutan-2-amine?
The IUPAC name of N-[[2-fluoro-5-[(propan-2-ylamino)methyl]phenyl]methyl]-N,2-dimethylbutan-2-amine (CID 107455111) is N-[[2-fluoro-5-[(propan-2-ylamino)methyl]phenyl]methyl]-N,2-dimethylbutan-2-amine.
What is the SMILES notation for N-[[2-fluoro-5-[(propan-2-ylamino)methyl]phenyl]methyl]-N,2-dimethylbutan-2-amine?
The canonical SMILES for N-[[2-fluoro-5-[(propan-2-ylamino)methyl]phenyl]methyl]-N,2-dimethylbutan-2-amine is CCC(C)(C)N(C)Cc1cc(CNC(C)C)ccc1F.
What is the InChIKey of N-[[2-fluoro-5-[(propan-2-ylamino)methyl]phenyl]methyl]-N,2-dimethylbutan-2-amine?
The InChIKey is USPXXYRJMDGERD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29FN2/c1-7-17(4,5)20(6)12-15-10-14(8-9-16(15)18)11-19-13(2)3/h8-10,13,19H,7,11-12H2,1-6H3.
What are the key properties of N-[[2-fluoro-5-[(propan-2-ylamino)methyl]phenyl]methyl]-N,2-dimethylbutan-2-amine?
N-[[2-fluoro-5-[(propan-2-ylamino)methyl]phenyl]methyl]-N,2-dimethylbutan-2-amine has a molecular weight of 280.43 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-fluoro-5-[(propan-2-ylamino)methyl]phenyl]methyl]-N,2-dimethylbutan-2-amine is sourced from PubChem (CID 107455111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).