N-[[1-(aminomethyl)cyclopropyl]methyl]-3-(3-fluorophenyl)propanamide

C14H19FN2O — CID 115271381

IUPACN-[[1-(aminomethyl)cyclopropyl]methyl]-3-(3-fluorophenyl)propanamide
SMILESNCC1(CNC(=O)CCc2cccc(F)c2)CC1
InChIInChI=1S/C14H19FN2O/c15-12-3-1-2-11(8-12)4-5-13(18)17-10-14(9-16)6-7-14/h1-3,8H,4-7,9-10,16H2,(H,17,18)
InChIKeyPTYGOPSOMXJXKV-UHFFFAOYSA-N
MW250.32 g/mol
LogP1.61
Rot. Bonds6

About N-[[1-(aminomethyl)cyclopropyl]methyl]-3-(3-fluorophenyl)propanamide

N-[[1-(aminomethyl)cyclopropyl]methyl]-3-(3-fluorophenyl)propanamide (PubChem CID 115271381) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclopropyl]methyl]-3-(3-fluorophenyl)propanamide.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclopropyl]methyl]-3-(3-fluorophenyl)propanamide
PubChem CID115271381
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC NameN-[[1-(aminomethyl)cyclopropyl]methyl]-3-(3-fluorophenyl)propanamide
SMILESNCC1(CNC(=O)CCc2cccc(F)c2)CC1
InChIInChI=1S/C14H19FN2O/c15-12-3-1-2-11(8-12)4-5-13(18)17-10-14(9-16)6-7-14/h1-3,8H,4-7,9-10,16H2,(H,17,18)
InChIKeyPTYGOPSOMXJXKV-UHFFFAOYSA-N
XLogP1.61
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(aminomethyl)cyclopropyl]methyl]-3-(3-bromophenyl)propanamide
CID 115271382
N-[[1-(aminomethyl)cyclopropyl]methyl]-3-(3-fluorophenyl)-N-methylpropanamide
CID 115272705
3-(3-aminophenyl)-N-[(3-fluorophenyl)methyl]propanamide
CID 43309221
3-(3-bromophenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide
CID 80717586
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(2,5-difluorophenyl)acetamide
CID 115271338
3-(3-fluorophenyl)-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]propanamide
CID 110622703
N-[2-(1,3-dioxan-2-yl)ethyl]-3-(3-fluorophenyl)propanamide
CID 110669263
N-[2-cyclopropyl-2-[3-(3-fluorophenyl)propanoylamino]ethyl]-3-(3-fluorophenyl)propanamide
CID 60615360
3-(3-bromophenyl)-N-[2-(3-fluorophenyl)ethyl]propanamide
CID 127122417
benzyl 2-[3-(3-fluorophenyl)propanoylamino]acetate
CID 31949955
2-(3-fluorophenyl)-N-[[1-(methylaminomethyl)cyclobutyl]methyl]acetamide
CID 115267551
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-(3-methylphenyl)propanamide
CID 115362508

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-3-(3-fluorophenyl)propanamide?
The IUPAC name of N-[[1-(aminomethyl)cyclopropyl]methyl]-3-(3-fluorophenyl)propanamide (CID 115271381) is N-[[1-(aminomethyl)cyclopropyl]methyl]-3-(3-fluorophenyl)propanamide.
What is the SMILES notation for N-[[1-(aminomethyl)cyclopropyl]methyl]-3-(3-fluorophenyl)propanamide?
The canonical SMILES for N-[[1-(aminomethyl)cyclopropyl]methyl]-3-(3-fluorophenyl)propanamide is NCC1(CNC(=O)CCc2cccc(F)c2)CC1.
What is the InChIKey of N-[[1-(aminomethyl)cyclopropyl]methyl]-3-(3-fluorophenyl)propanamide?
The InChIKey is PTYGOPSOMXJXKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c15-12-3-1-2-11(8-12)4-5-13(18)17-10-14(9-16)6-7-14/h1-3,8H,4-7,9-10,16H2,(H,17,18).
What are the key properties of N-[[1-(aminomethyl)cyclopropyl]methyl]-3-(3-fluorophenyl)propanamide?
N-[[1-(aminomethyl)cyclopropyl]methyl]-3-(3-fluorophenyl)propanamide has a molecular weight of 250.32 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclopropyl]methyl]-3-(3-fluorophenyl)propanamide is sourced from PubChem (CID 115271381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).