N-[2-(3-fluorophenyl)ethyl]-N-[(3-methylpyrrolidin-3-yl)methyl]cyclopropanamine

C17H25FN2 — CID 120900591

IUPACN-[2-(3-fluorophenyl)ethyl]-N-[(3-methylpyrrolidin-3-yl)methyl]cyclopropanamine
SMILESCC1(CN(CCc2cccc(F)c2)C2CC2)CCNC1
InChIInChI=1S/C17H25FN2/c1-17(8-9-19-12-17)13-20(16-5-6-16)10-7-14-3-2-4-15(18)11-14/h2-4,11,16,19H,5-10,12-13H2,1H3
InChIKeyCFTQBDUKDFWPKG-UHFFFAOYSA-N
MW276.40 g/mol
LogP2.83
Rot. Bonds6

About N-[2-(3-fluorophenyl)ethyl]-N-[(3-methylpyrrolidin-3-yl)methyl]cyclopropanamine

N-[2-(3-fluorophenyl)ethyl]-N-[(3-methylpyrrolidin-3-yl)methyl]cyclopropanamine (PubChem CID 120900591) has the molecular formula C17H25FN2 and a molecular weight of 276.40 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)ethyl]-N-[(3-methylpyrrolidin-3-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)ethyl]-N-[(3-methylpyrrolidin-3-yl)methyl]cyclopropanamine
PubChem CID120900591
Molecular FormulaC17H25FN2
Molecular Weight276.40 g/mol
Exact Mass276.20
IUPAC NameN-[2-(3-fluorophenyl)ethyl]-N-[(3-methylpyrrolidin-3-yl)methyl]cyclopropanamine
SMILESCC1(CN(CCc2cccc(F)c2)C2CC2)CCNC1
InChIInChI=1S/C17H25FN2/c1-17(8-9-19-12-17)13-20(16-5-6-16)10-7-14-3-2-4-15(18)11-14/h2-4,11,16,19H,5-10,12-13H2,1H3
InChIKeyCFTQBDUKDFWPKG-UHFFFAOYSA-N
XLogP2.83
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-methylpyrrolidin-3-yl)methyl]-N-(2-methylsulfonylethyl)cyclopropanamine
CID 120901428
2-[cyclopropyl-[3-(3-fluorophenyl)propyl]amino]ethanol
CID 110008170
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-[2-(3-fluorophenyl)ethyl]cyclopropanamine
CID 56790190
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N-[(3-methylpyrrolidin-3-yl)methyl]cyclopropanamine;hydrochloride
CID 120902842
1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-[2-(3-fluorophenyl)ethyl]-2-methylguanidine
CID 111395753
N-(cyclopropylmethyl)-N-[(3-methylpyrrolidin-3-yl)methyl]cyclohexanamine
CID 120899766
N'-cyclopropyl-N'-[(3-fluorophenyl)methyl]propane-1,3-diamine
CID 43137498
2-(4-bromophenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]ethanamine;hydrochloride
CID 120899800
2-(3-fluorophenyl)-N-methyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]ethanamine
CID 115244944
1-[2-(3-fluorophenyl)ethyl]-1-methylhydrazine
CID 105433799
2-[2-(3-fluorophenyl)ethyl-[1-(4-methylphenyl)piperidin-4-yl]amino]acetic acid
CID 110161312
1-[(3-fluorophenyl)methyl]-5-(3-methylpyrrolidin-3-yl)imidazole
CID 114717837

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)ethyl]-N-[(3-methylpyrrolidin-3-yl)methyl]cyclopropanamine?
The IUPAC name of N-[2-(3-fluorophenyl)ethyl]-N-[(3-methylpyrrolidin-3-yl)methyl]cyclopropanamine (CID 120900591) is N-[2-(3-fluorophenyl)ethyl]-N-[(3-methylpyrrolidin-3-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[2-(3-fluorophenyl)ethyl]-N-[(3-methylpyrrolidin-3-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[2-(3-fluorophenyl)ethyl]-N-[(3-methylpyrrolidin-3-yl)methyl]cyclopropanamine is CC1(CN(CCc2cccc(F)c2)C2CC2)CCNC1.
What is the InChIKey of N-[2-(3-fluorophenyl)ethyl]-N-[(3-methylpyrrolidin-3-yl)methyl]cyclopropanamine?
The InChIKey is CFTQBDUKDFWPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2/c1-17(8-9-19-12-17)13-20(16-5-6-16)10-7-14-3-2-4-15(18)11-14/h2-4,11,16,19H,5-10,12-13H2,1H3.
What are the key properties of N-[2-(3-fluorophenyl)ethyl]-N-[(3-methylpyrrolidin-3-yl)methyl]cyclopropanamine?
N-[2-(3-fluorophenyl)ethyl]-N-[(3-methylpyrrolidin-3-yl)methyl]cyclopropanamine has a molecular weight of 276.40 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)ethyl]-N-[(3-methylpyrrolidin-3-yl)methyl]cyclopropanamine is sourced from PubChem (CID 120900591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).