N-[[2-fluoro-5-[(propan-2-ylamino)methyl]phenyl]methyl]-N,2-dimethylbutan-1-amine

C17H29FN2 — CID 107454209

IUPACN-[[2-fluoro-5-[(propan-2-ylamino)methyl]phenyl]methyl]-N,2-dimethylbutan-1-amine
SMILESCCC(C)CN(C)Cc1cc(CNC(C)C)ccc1F
InChIInChI=1S/C17H29FN2/c1-6-14(4)11-20(5)12-16-9-15(7-8-17(16)18)10-19-13(2)3/h7-9,13-14,19H,6,10-12H2,1-5H3
InChIKeyBRIIGIUDUOBVHG-UHFFFAOYSA-N
MW280.43 g/mol
LogP3.80
Rot. Bonds8

About N-[[2-fluoro-5-[(propan-2-ylamino)methyl]phenyl]methyl]-N,2-dimethylbutan-1-amine

N-[[2-fluoro-5-[(propan-2-ylamino)methyl]phenyl]methyl]-N,2-dimethylbutan-1-amine (PubChem CID 107454209) 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-1-amine.

Molecular Properties

Compound NameN-[[2-fluoro-5-[(propan-2-ylamino)methyl]phenyl]methyl]-N,2-dimethylbutan-1-amine
PubChem CID107454209
Molecular FormulaC17H29FN2
Molecular Weight280.43 g/mol
Exact Mass280.23
IUPAC NameN-[[2-fluoro-5-[(propan-2-ylamino)methyl]phenyl]methyl]-N,2-dimethylbutan-1-amine
SMILESCCC(C)CN(C)Cc1cc(CNC(C)C)ccc1F
InChIInChI=1S/C17H29FN2/c1-6-14(4)11-20(5)12-16-9-15(7-8-17(16)18)10-19-13(2)3/h7-9,13-14,19H,6,10-12H2,1-5H3
InChIKeyBRIIGIUDUOBVHG-UHFFFAOYSA-N
XLogP3.80
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.43
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-fluoro-5-[(propan-2-ylamino)methyl]phenyl]methyl]-N,2-dimethylbutan-2-amine
CID 107455111
2-fluoro-N-methyl-N-(2-methylbutyl)-4-[(propan-2-ylamino)methyl]aniline
CID 43296099
N-[[2-fluoro-5-[(propan-2-ylamino)methyl]phenyl]methyl]-N-methyl-1-methylsulfanylbutan-2-amine
CID 107455604
N,N'-dimethyl-N'-(2-methylbutyl)-N-[[4-[(propan-2-ylamino)methyl]phenyl]methyl]ethane-1,2-diamine
CID 153390414
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
4-fluoro-3-[[methyl(2-methylbutyl)amino]methyl]benzohydrazide
CID 107458416
N-[[3-bromo-4-[[2,2-difluoroethyl(methyl)amino]methyl]phenyl]methyl]propan-2-amine
CID 102771953
N,2-dimethyl-N-[[5-methyl-4-[(propan-2-ylamino)methyl]furan-2-yl]methyl]butan-1-amine
CID 62420942
N-[[4-fluoro-3-(pentan-2-yloxymethyl)phenyl]methyl]propan-2-amine
CID 107457998
N-[[2-fluoro-5-[(propan-2-ylamino)methyl]phenyl]methyl]-N-methyloxan-4-amine
CID 107454373

Frequently Asked Questions

What is the IUPAC name of N-[[2-fluoro-5-[(propan-2-ylamino)methyl]phenyl]methyl]-N,2-dimethylbutan-1-amine?
The IUPAC name of N-[[2-fluoro-5-[(propan-2-ylamino)methyl]phenyl]methyl]-N,2-dimethylbutan-1-amine (CID 107454209) is N-[[2-fluoro-5-[(propan-2-ylamino)methyl]phenyl]methyl]-N,2-dimethylbutan-1-amine.
What is the SMILES notation for N-[[2-fluoro-5-[(propan-2-ylamino)methyl]phenyl]methyl]-N,2-dimethylbutan-1-amine?
The canonical SMILES for N-[[2-fluoro-5-[(propan-2-ylamino)methyl]phenyl]methyl]-N,2-dimethylbutan-1-amine is CCC(C)CN(C)Cc1cc(CNC(C)C)ccc1F.
What is the InChIKey of N-[[2-fluoro-5-[(propan-2-ylamino)methyl]phenyl]methyl]-N,2-dimethylbutan-1-amine?
The InChIKey is BRIIGIUDUOBVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29FN2/c1-6-14(4)11-20(5)12-16-9-15(7-8-17(16)18)10-19-13(2)3/h7-9,13-14,19H,6,10-12H2,1-5H3.
What are the key properties of N-[[2-fluoro-5-[(propan-2-ylamino)methyl]phenyl]methyl]-N,2-dimethylbutan-1-amine?
N-[[2-fluoro-5-[(propan-2-ylamino)methyl]phenyl]methyl]-N,2-dimethylbutan-1-amine has a molecular weight of 280.43 g/mol, XLogP of 3.80, 8 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-1-amine is sourced from PubChem (CID 107454209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).