N-[(2-fluorophenyl)methyl]-N-(2-pyridin-4-ylethyl)cyclopropanamine

C17H19FN2 — CID 86909109

IUPACN-[(2-fluorophenyl)methyl]-N-(2-pyridin-4-ylethyl)cyclopropanamine
SMILESFc1ccccc1CN(CCc1ccncc1)C1CC1
InChIInChI=1S/C17H19FN2/c18-17-4-2-1-3-15(17)13-20(16-5-6-16)12-9-14-7-10-19-11-8-14/h1-4,7-8,10-11,16H,5-6,9,12-13H2
InChIKeyLRRFJSDMPSAUQT-UHFFFAOYSA-N
MW270.35 g/mol
LogP3.43
Rot. Bonds6

About N-[(2-fluorophenyl)methyl]-N-(2-pyridin-4-ylethyl)cyclopropanamine

N-[(2-fluorophenyl)methyl]-N-(2-pyridin-4-ylethyl)cyclopropanamine (PubChem CID 86909109) has the molecular formula C17H19FN2 and a molecular weight of 270.35 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-N-(2-pyridin-4-ylethyl)cyclopropanamine.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-N-(2-pyridin-4-ylethyl)cyclopropanamine
PubChem CID86909109
Molecular FormulaC17H19FN2
Molecular Weight270.35 g/mol
Exact Mass270.15
IUPAC NameN-[(2-fluorophenyl)methyl]-N-(2-pyridin-4-ylethyl)cyclopropanamine
SMILESFc1ccccc1CN(CCc1ccncc1)C1CC1
InChIInChI=1S/C17H19FN2/c18-17-4-2-1-3-15(17)13-20(16-5-6-16)12-9-14-7-10-19-11-8-14/h1-4,7-8,10-11,16H,5-6,9,12-13H2
InChIKeyLRRFJSDMPSAUQT-UHFFFAOYSA-N
XLogP3.43
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N'-cyclopropyl-N'-(2-pyridin-4-ylethyl)ethane-1,2-diamine
CID 61349557
2-[cyclopropyl(2-pyridin-4-ylethyl)amino]ethanol
CID 60774994
N-(cyclopentylmethyl)-N-[(2-fluorophenyl)methyl]cyclopropanamine
CID 112828716
N-[(2-fluorophenyl)methyl]-N-(quinolin-8-ylmethyl)cyclopropanamine
CID 55503066
1-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-methylpropan-2-ol
CID 110932461
N-[(4-fluorophenyl)methyl]-N-(pyridin-4-ylmethyl)cyclopropanamine
CID 122134073
4-[(2-fluorophenyl)methyl]pyridine
CID 23294432
2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 26010059
3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 113119113
3-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-1-piperazin-1-ylpropan-1-one
CID 120980502
2-[cyclopentyl-[(2-fluorophenyl)methyl]amino]acetonitrile
CID 62048932
5-[[cyclopropyl-[(2-fluorophenyl)methyl]amino]methyl]furan-2-carboxylic acid
CID 42750343

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-N-(2-pyridin-4-ylethyl)cyclopropanamine?
The IUPAC name of N-[(2-fluorophenyl)methyl]-N-(2-pyridin-4-ylethyl)cyclopropanamine (CID 86909109) is N-[(2-fluorophenyl)methyl]-N-(2-pyridin-4-ylethyl)cyclopropanamine.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-N-(2-pyridin-4-ylethyl)cyclopropanamine?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-N-(2-pyridin-4-ylethyl)cyclopropanamine is Fc1ccccc1CN(CCc1ccncc1)C1CC1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-N-(2-pyridin-4-ylethyl)cyclopropanamine?
The InChIKey is LRRFJSDMPSAUQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2/c18-17-4-2-1-3-15(17)13-20(16-5-6-16)12-9-14-7-10-19-11-8-14/h1-4,7-8,10-11,16H,5-6,9,12-13H2.
What are the key properties of N-[(2-fluorophenyl)methyl]-N-(2-pyridin-4-ylethyl)cyclopropanamine?
N-[(2-fluorophenyl)methyl]-N-(2-pyridin-4-ylethyl)cyclopropanamine has a molecular weight of 270.35 g/mol, XLogP of 3.43, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-N-(2-pyridin-4-ylethyl)cyclopropanamine is sourced from PubChem (CID 86909109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).