N-(cyclopentylmethyl)-N-[(2-fluorophenyl)methyl]cyclopropanamine

C16H22FN — CID 112828716

IUPACN-(cyclopentylmethyl)-N-[(2-fluorophenyl)methyl]cyclopropanamine
SMILESFc1ccccc1CN(CC1CCCC1)C1CC1
InChIInChI=1S/C16H22FN/c17-16-8-4-3-7-14(16)12-18(15-9-10-15)11-13-5-1-2-6-13/h3-4,7-8,13,15H,1-2,5-6,9-12H2
InChIKeyCCBLSTUNVXCTGL-UHFFFAOYSA-N
MW247.36 g/mol
LogP3.98
Rot. Bonds5

About N-(cyclopentylmethyl)-N-[(2-fluorophenyl)methyl]cyclopropanamine

N-(cyclopentylmethyl)-N-[(2-fluorophenyl)methyl]cyclopropanamine (PubChem CID 112828716) has the molecular formula C16H22FN and a molecular weight of 247.36 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-N-[(2-fluorophenyl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-N-[(2-fluorophenyl)methyl]cyclopropanamine
PubChem CID112828716
Molecular FormulaC16H22FN
Molecular Weight247.36 g/mol
Exact Mass247.17
IUPAC NameN-(cyclopentylmethyl)-N-[(2-fluorophenyl)methyl]cyclopropanamine
SMILESFc1ccccc1CN(CC1CCCC1)C1CC1
InChIInChI=1S/C16H22FN/c17-16-8-4-3-7-14(16)12-18(15-9-10-15)11-13-5-1-2-6-13/h3-4,7-8,13,15H,1-2,5-6,9-12H2
InChIKeyCCBLSTUNVXCTGL-UHFFFAOYSA-N
XLogP3.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[cyclopentyl-[(2-fluorophenyl)methyl]amino]acetonitrile
CID 62048932
N-cyclooctyl-2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]acetamide
CID 27106314
1-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-methylpropan-2-ol
CID 110932461
N-[(2,5-difluorophenyl)methyl]-N-(piperidin-4-ylmethyl)cyclopentanamine;hydrochloride
CID 119932338
1-(cyclobutylmethyl)-2-fluorobenzene
CID 89050192
N-(piperidin-4-ylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]cyclopropanamine
CID 119930125
N-[(2-fluorophenyl)methyl]-N-(2-pyridin-4-ylethyl)cyclopropanamine
CID 86909109
N-[(2-fluorophenyl)methyl]-N-(quinolin-8-ylmethyl)cyclopropanamine
CID 55503066
N-[(5-bromo-2-fluorophenyl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine;hydrochloride
CID 119930116
3-[[cyclopropyl(piperidin-3-ylmethyl)amino]methyl]-2-fluorobenzonitrile
CID 107119079
N,N-bis(2-cyanoethyl)-2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]acetamide
CID 86911668
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-[(2-fluorophenyl)methyl]cyclobutanamine
CID 71920109

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-N-[(2-fluorophenyl)methyl]cyclopropanamine?
The IUPAC name of N-(cyclopentylmethyl)-N-[(2-fluorophenyl)methyl]cyclopropanamine (CID 112828716) is N-(cyclopentylmethyl)-N-[(2-fluorophenyl)methyl]cyclopropanamine.
What is the SMILES notation for N-(cyclopentylmethyl)-N-[(2-fluorophenyl)methyl]cyclopropanamine?
The canonical SMILES for N-(cyclopentylmethyl)-N-[(2-fluorophenyl)methyl]cyclopropanamine is Fc1ccccc1CN(CC1CCCC1)C1CC1.
What is the InChIKey of N-(cyclopentylmethyl)-N-[(2-fluorophenyl)methyl]cyclopropanamine?
The InChIKey is CCBLSTUNVXCTGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN/c17-16-8-4-3-7-14(16)12-18(15-9-10-15)11-13-5-1-2-6-13/h3-4,7-8,13,15H,1-2,5-6,9-12H2.
What are the key properties of N-(cyclopentylmethyl)-N-[(2-fluorophenyl)methyl]cyclopropanamine?
N-(cyclopentylmethyl)-N-[(2-fluorophenyl)methyl]cyclopropanamine has a molecular weight of 247.36 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-N-[(2-fluorophenyl)methyl]cyclopropanamine is sourced from PubChem (CID 112828716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).