N-[[3-(diethylaminomethyl)-4-fluorophenyl]methyl]-2-methylpropan-1-amine

C16H27FN2 — CID 107453745

IUPACN-[[3-(diethylaminomethyl)-4-fluorophenyl]methyl]-2-methylpropan-1-amine
SMILESCCN(CC)Cc1cc(CNCC(C)C)ccc1F
InChIInChI=1S/C16H27FN2/c1-5-19(6-2)12-15-9-14(7-8-16(15)17)11-18-10-13(3)4/h7-9,13,18H,5-6,10-12H2,1-4H3
InChIKeyZSNXRSSUJNQRKQ-UHFFFAOYSA-N
MW266.40 g/mol
LogP3.41
Rot. Bonds8

About N-[[3-(diethylaminomethyl)-4-fluorophenyl]methyl]-2-methylpropan-1-amine

N-[[3-(diethylaminomethyl)-4-fluorophenyl]methyl]-2-methylpropan-1-amine (PubChem CID 107453745) has the molecular formula C16H27FN2 and a molecular weight of 266.40 g/mol. Its IUPAC name is N-[[3-(diethylaminomethyl)-4-fluorophenyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[3-(diethylaminomethyl)-4-fluorophenyl]methyl]-2-methylpropan-1-amine
PubChem CID107453745
Molecular FormulaC16H27FN2
Molecular Weight266.40 g/mol
Exact Mass266.22
IUPAC NameN-[[3-(diethylaminomethyl)-4-fluorophenyl]methyl]-2-methylpropan-1-amine
SMILESCCN(CC)Cc1cc(CNCC(C)C)ccc1F
InChIInChI=1S/C16H27FN2/c1-5-19(6-2)12-15-9-14(7-8-16(15)17)11-18-10-13(3)4/h7-9,13,18H,5-6,10-12H2,1-4H3
InChIKeyZSNXRSSUJNQRKQ-UHFFFAOYSA-N
XLogP3.41
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.40
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-[[ethyl(2-methylpropyl)amino]methyl]-4-fluorophenyl]methyl]-2-methylpropan-1-amine
CID 107454147
N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-2-methylpropan-1-amine
CID 103880565
N-[[2-fluoro-5-[(2-methylpropylamino)methyl]phenyl]methyl]-N-methylbutan-2-amine
CID 107454052
N-[[2-fluoro-5-[(2-methylpropylamino)methyl]phenyl]methyl]-N-methylcyclobutanamine
CID 107455700
N-[[3-[[cyclobutylmethyl(methyl)amino]methyl]-4-fluorophenyl]methyl]-2-methylpropan-1-amine
CID 107454897
N-ethyl-2-fluoro-N-methyl-4-[(2-methylpropylamino)methyl]aniline
CID 63060723
N-ethyl-N-[[5-(ethylaminomethyl)-2-fluorophenyl]methyl]-2-methylprop-2-en-1-amine
CID 107453965
N-[[3-[[ethyl(prop-2-enyl)amino]methyl]-4-fluorophenyl]methyl]propan-2-amine
CID 107455498
N-[[4-fluoro-3-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 107456800
N-[[4-fluoro-3-(hexoxymethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 107457094
N-[[3-[[ethyl(prop-2-ynyl)amino]methyl]-4-fluorophenyl]methyl]propan-2-amine
CID 107455460
N-[[4-fluoro-3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-2-methylpropan-1-amine
CID 107453759

Frequently Asked Questions

What is the IUPAC name of N-[[3-(diethylaminomethyl)-4-fluorophenyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[3-(diethylaminomethyl)-4-fluorophenyl]methyl]-2-methylpropan-1-amine (CID 107453745) is N-[[3-(diethylaminomethyl)-4-fluorophenyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[3-(diethylaminomethyl)-4-fluorophenyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[3-(diethylaminomethyl)-4-fluorophenyl]methyl]-2-methylpropan-1-amine is CCN(CC)Cc1cc(CNCC(C)C)ccc1F.
What is the InChIKey of N-[[3-(diethylaminomethyl)-4-fluorophenyl]methyl]-2-methylpropan-1-amine?
The InChIKey is ZSNXRSSUJNQRKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27FN2/c1-5-19(6-2)12-15-9-14(7-8-16(15)17)11-18-10-13(3)4/h7-9,13,18H,5-6,10-12H2,1-4H3.
What are the key properties of N-[[3-(diethylaminomethyl)-4-fluorophenyl]methyl]-2-methylpropan-1-amine?
N-[[3-(diethylaminomethyl)-4-fluorophenyl]methyl]-2-methylpropan-1-amine has a molecular weight of 266.40 g/mol, XLogP of 3.41, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(diethylaminomethyl)-4-fluorophenyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 107453745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).