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

C18H29FN2 — CID 107453693

IUPACN-[[3-[(2-ethylpyrrolidin-1-yl)methyl]-4-fluorophenyl]methyl]-2-methylpropan-1-amine
SMILESCCC1CCCN1Cc1cc(CNCC(C)C)ccc1F
InChIInChI=1S/C18H29FN2/c1-4-17-6-5-9-21(17)13-16-10-15(7-8-18(16)19)12-20-11-14(2)3/h7-8,10,14,17,20H,4-6,9,11-13H2,1-3H3
InChIKeyGPQLSFSGCCMYTR-UHFFFAOYSA-N
MW292.44 g/mol
LogP3.95
Rot. Bonds7

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

N-[[3-[(2-ethylpyrrolidin-1-yl)methyl]-4-fluorophenyl]methyl]-2-methylpropan-1-amine (PubChem CID 107453693) has the molecular formula C18H29FN2 and a molecular weight of 292.44 g/mol. Its IUPAC name is N-[[3-[(2-ethylpyrrolidin-1-yl)methyl]-4-fluorophenyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[3-[(2-ethylpyrrolidin-1-yl)methyl]-4-fluorophenyl]methyl]-2-methylpropan-1-amine
PubChem CID107453693
Molecular FormulaC18H29FN2
Molecular Weight292.44 g/mol
Exact Mass292.23
IUPAC NameN-[[3-[(2-ethylpyrrolidin-1-yl)methyl]-4-fluorophenyl]methyl]-2-methylpropan-1-amine
SMILESCCC1CCCN1Cc1cc(CNCC(C)C)ccc1F
InChIInChI=1S/C18H29FN2/c1-4-17-6-5-9-21(17)13-16-10-15(7-8-18(16)19)12-20-11-14(2)3/h7-8,10,14,17,20H,4-6,9,11-13H2,1-3H3
InChIKeyGPQLSFSGCCMYTR-UHFFFAOYSA-N
XLogP3.95
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-[(5-bromo-2-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]-2-methylpropan-1-amine
CID 62581106
N-[[4-fluoro-3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-2-methylpropan-1-amine
CID 107453759
N-[[3-(3,6-dihydro-2H-pyridin-1-ylmethyl)-4-fluorophenyl]methyl]-2-methylpropan-1-amine
CID 107455755
N-[[4-fluoro-3-[(2-methylpyrrolidin-1-yl)methyl]phenyl]methyl]propan-1-amine
CID 107453703
N-[[2-fluoro-5-[(2-methylpropylamino)methyl]phenyl]methyl]-N-methylcyclobutanamine
CID 107455700
N-[[1-[(3-chloro-4-fluorophenyl)methyl]pyrrolidin-2-yl]methyl]-2-methylpropan-1-amine
CID 103038258
N-[[4-(2-ethylpyrrolidin-1-yl)-3-methylphenyl]methyl]-2-methylpropan-1-amine
CID 63059703
N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-2-methylpropan-1-amine
CID 103880565
N-[[4-[(2-ethylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine
CID 62420081
N-[[4-fluoro-3-[(2-propan-2-ylpyrrolidin-1-yl)methyl]phenyl]methyl]cyclopropanamine
CID 107455247
N-[[5-[(2-ethylpiperidin-1-yl)methyl]furan-2-yl]methyl]-2-methylpropan-1-amine
CID 62417798
N-[[3-(diethylaminomethyl)-4-fluorophenyl]methyl]-2-methylpropan-1-amine
CID 107453745

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(2-ethylpyrrolidin-1-yl)methyl]-4-fluorophenyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[3-[(2-ethylpyrrolidin-1-yl)methyl]-4-fluorophenyl]methyl]-2-methylpropan-1-amine (CID 107453693) is N-[[3-[(2-ethylpyrrolidin-1-yl)methyl]-4-fluorophenyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[3-[(2-ethylpyrrolidin-1-yl)methyl]-4-fluorophenyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[3-[(2-ethylpyrrolidin-1-yl)methyl]-4-fluorophenyl]methyl]-2-methylpropan-1-amine is CCC1CCCN1Cc1cc(CNCC(C)C)ccc1F.
What is the InChIKey of N-[[3-[(2-ethylpyrrolidin-1-yl)methyl]-4-fluorophenyl]methyl]-2-methylpropan-1-amine?
The InChIKey is GPQLSFSGCCMYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29FN2/c1-4-17-6-5-9-21(17)13-16-10-15(7-8-18(16)19)12-20-11-14(2)3/h7-8,10,14,17,20H,4-6,9,11-13H2,1-3H3.
What are the key properties of N-[[3-[(2-ethylpyrrolidin-1-yl)methyl]-4-fluorophenyl]methyl]-2-methylpropan-1-amine?
N-[[3-[(2-ethylpyrrolidin-1-yl)methyl]-4-fluorophenyl]methyl]-2-methylpropan-1-amine has a molecular weight of 292.44 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(2-ethylpyrrolidin-1-yl)methyl]-4-fluorophenyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 107453693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).