N-[[4-fluoro-3-(pentan-2-yloxymethyl)phenyl]methyl]propan-2-amine

C16H26FNO — CID 107457998

IUPACN-[[4-fluoro-3-(pentan-2-yloxymethyl)phenyl]methyl]propan-2-amine
SMILESCCCC(C)OCc1cc(CNC(C)C)ccc1F
InChIInChI=1S/C16H26FNO/c1-5-6-13(4)19-11-15-9-14(7-8-16(15)17)10-18-12(2)3/h7-9,12-13,18H,5-6,10-11H2,1-4H3
InChIKeyYIGHFMMCLXIAFF-UHFFFAOYSA-N
MW267.39 g/mol
LogP4.03
Rot. Bonds8

About N-[[4-fluoro-3-(pentan-2-yloxymethyl)phenyl]methyl]propan-2-amine

N-[[4-fluoro-3-(pentan-2-yloxymethyl)phenyl]methyl]propan-2-amine (PubChem CID 107457998) has the molecular formula C16H26FNO and a molecular weight of 267.39 g/mol. Its IUPAC name is N-[[4-fluoro-3-(pentan-2-yloxymethyl)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-fluoro-3-(pentan-2-yloxymethyl)phenyl]methyl]propan-2-amine
PubChem CID107457998
Molecular FormulaC16H26FNO
Molecular Weight267.39 g/mol
Exact Mass267.20
IUPAC NameN-[[4-fluoro-3-(pentan-2-yloxymethyl)phenyl]methyl]propan-2-amine
SMILESCCCC(C)OCc1cc(CNC(C)C)ccc1F
InChIInChI=1S/C16H26FNO/c1-5-6-13(4)19-11-15-9-14(7-8-16(15)17)10-18-12(2)3/h7-9,12-13,18H,5-6,10-11H2,1-4H3
InChIKeyYIGHFMMCLXIAFF-UHFFFAOYSA-N
XLogP4.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-(1-ethoxypropan-2-yloxymethyl)-4-fluorophenyl]methyl]propan-2-amine
CID 107458020
N-[(3-fluoro-4-pentan-2-yloxyphenyl)methyl]propan-2-amine
CID 107891159
1-[4-fluoro-3-(1-methoxypropan-2-yloxymethyl)phenyl]-N-methylmethanamine
CID 107457726
N-[[2-fluoro-5-[(propan-2-ylamino)methyl]phenyl]methyl]-N,2-dimethylbutan-1-amine
CID 107454209
N-[[4-fluoro-3-[(3-methoxy-3-methylbutoxy)methyl]phenyl]methyl]propan-2-amine
CID 107458042
N-[[2-fluoro-5-[(propan-2-ylamino)methyl]phenyl]methyl]-N,2-dimethylbutan-2-amine
CID 107455111
2-fluoro-5-[(propan-2-ylamino)methyl]-N,N-dipropylaniline
CID 84753345
4-bromo-2-fluoro-1-(pentan-2-yloxymethyl)benzene
CID 102983194
N-[[3-[[ethyl(prop-2-enyl)amino]methyl]-4-fluorophenyl]methyl]propan-2-amine
CID 107455498
N-[[3-[[ethyl(prop-2-ynyl)amino]methyl]-4-fluorophenyl]methyl]propan-2-amine
CID 107455460
2-fluoro-N,N-dimethyl-5-[(propan-2-ylamino)methyl]aniline
CID 84753813
N-[[3-(3,5-difluorophenyl)-4-fluorophenyl]methyl]propan-2-amine
CID 61026035

Frequently Asked Questions

What is the IUPAC name of N-[[4-fluoro-3-(pentan-2-yloxymethyl)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[4-fluoro-3-(pentan-2-yloxymethyl)phenyl]methyl]propan-2-amine (CID 107457998) is N-[[4-fluoro-3-(pentan-2-yloxymethyl)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-fluoro-3-(pentan-2-yloxymethyl)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-fluoro-3-(pentan-2-yloxymethyl)phenyl]methyl]propan-2-amine is CCCC(C)OCc1cc(CNC(C)C)ccc1F.
What is the InChIKey of N-[[4-fluoro-3-(pentan-2-yloxymethyl)phenyl]methyl]propan-2-amine?
The InChIKey is YIGHFMMCLXIAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FNO/c1-5-6-13(4)19-11-15-9-14(7-8-16(15)17)10-18-12(2)3/h7-9,12-13,18H,5-6,10-11H2,1-4H3.
What are the key properties of N-[[4-fluoro-3-(pentan-2-yloxymethyl)phenyl]methyl]propan-2-amine?
N-[[4-fluoro-3-(pentan-2-yloxymethyl)phenyl]methyl]propan-2-amine has a molecular weight of 267.39 g/mol, XLogP of 4.03, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-fluoro-3-(pentan-2-yloxymethyl)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 107457998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).