N-[[4-fluoro-3-[[methyl(3-methylbutyl)amino]methyl]phenyl]methyl]cyclopropanamine

C17H27FN2 — CID 107454747

IUPACN-[[4-fluoro-3-[[methyl(3-methylbutyl)amino]methyl]phenyl]methyl]cyclopropanamine
SMILESCC(C)CCN(C)Cc1cc(CNC2CC2)ccc1F
InChIInChI=1S/C17H27FN2/c1-13(2)8-9-20(3)12-15-10-14(4-7-17(15)18)11-19-16-5-6-16/h4,7,10,13,16,19H,5-6,8-9,11-12H2,1-3H3
InChIKeyBDDUDYNDGDTFER-UHFFFAOYSA-N
MW278.42 g/mol
LogP3.56
Rot. Bonds8

About N-[[4-fluoro-3-[[methyl(3-methylbutyl)amino]methyl]phenyl]methyl]cyclopropanamine

N-[[4-fluoro-3-[[methyl(3-methylbutyl)amino]methyl]phenyl]methyl]cyclopropanamine (PubChem CID 107454747) has the molecular formula C17H27FN2 and a molecular weight of 278.42 g/mol. Its IUPAC name is N-[[4-fluoro-3-[[methyl(3-methylbutyl)amino]methyl]phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-fluoro-3-[[methyl(3-methylbutyl)amino]methyl]phenyl]methyl]cyclopropanamine
PubChem CID107454747
Molecular FormulaC17H27FN2
Molecular Weight278.42 g/mol
Exact Mass278.22
IUPAC NameN-[[4-fluoro-3-[[methyl(3-methylbutyl)amino]methyl]phenyl]methyl]cyclopropanamine
SMILESCC(C)CCN(C)Cc1cc(CNC2CC2)ccc1F
InChIInChI=1S/C17H27FN2/c1-13(2)8-9-20(3)12-15-10-14(4-7-17(15)18)11-19-16-5-6-16/h4,7,10,13,16,19H,5-6,8-9,11-12H2,1-3H3
InChIKeyBDDUDYNDGDTFER-UHFFFAOYSA-N
XLogP3.56
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[4-fluoro-3-[[methyl(3-methylbutyl)amino]methyl]phenyl]methyl]cyclopropanamine with MolForge

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Related Compounds

N-[[3-[[2,2-dimethylpropyl(methyl)amino]methyl]-4-fluorophenyl]methyl]cyclopropanamine
CID 107454794
N-[[4-fluoro-3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 107454401
N-[[3-[[cyclopropylmethyl(propan-2-yl)amino]methyl]-4-fluorophenyl]methyl]cyclopropanamine
CID 107453586
N-[[2-fluoro-5-(methylaminomethyl)phenyl]methyl]-N-(3-methylbutyl)cyclopropanamine
CID 107453606
N-[[3-[[ethyl(1-methoxypropan-2-yl)amino]methyl]-4-fluorophenyl]methyl]cyclopropanamine
CID 107454466
N-[[3-[[cyclopropylmethyl(propyl)amino]methyl]-4-fluorophenyl]methyl]cyclopropanamine
CID 107454527
N-[2-[4-[[methyl(3-methylbutyl)amino]methyl]phenyl]propyl]cyclopropanamine
CID 105347466
N-[[4-fluoro-3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]cyclopropanamine
CID 107453756
N-[[3-[[cyclobutylmethyl(ethyl)amino]methyl]-4-fluorophenyl]methyl]cyclopropanamine
CID 107455919
N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N-(3-methylbutyl)cyclopropanamine
CID 107878305
N-[[4-methoxy-3-[[methyl(pentyl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 62017224
N-[[3-[[cyclobutylmethyl(methyl)amino]methyl]-4-fluorophenyl]methyl]-2-methylpropan-1-amine
CID 107454897

Frequently Asked Questions

What is the IUPAC name of N-[[4-fluoro-3-[[methyl(3-methylbutyl)amino]methyl]phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-fluoro-3-[[methyl(3-methylbutyl)amino]methyl]phenyl]methyl]cyclopropanamine (CID 107454747) is N-[[4-fluoro-3-[[methyl(3-methylbutyl)amino]methyl]phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-fluoro-3-[[methyl(3-methylbutyl)amino]methyl]phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-fluoro-3-[[methyl(3-methylbutyl)amino]methyl]phenyl]methyl]cyclopropanamine is CC(C)CCN(C)Cc1cc(CNC2CC2)ccc1F.
What is the InChIKey of N-[[4-fluoro-3-[[methyl(3-methylbutyl)amino]methyl]phenyl]methyl]cyclopropanamine?
The InChIKey is BDDUDYNDGDTFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2/c1-13(2)8-9-20(3)12-15-10-14(4-7-17(15)18)11-19-16-5-6-16/h4,7,10,13,16,19H,5-6,8-9,11-12H2,1-3H3.
What are the key properties of N-[[4-fluoro-3-[[methyl(3-methylbutyl)amino]methyl]phenyl]methyl]cyclopropanamine?
N-[[4-fluoro-3-[[methyl(3-methylbutyl)amino]methyl]phenyl]methyl]cyclopropanamine has a molecular weight of 278.42 g/mol, XLogP of 3.56, 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-[[methyl(3-methylbutyl)amino]methyl]phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 107454747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).