N-[3-(aminomethyl)pentan-3-yl]-3-(2,5-difluorophenyl)propanamide

C15H22F2N2O — CID 119571102

IUPACN-[3-(aminomethyl)pentan-3-yl]-3-(2,5-difluorophenyl)propanamide
SMILESCCC(CC)(CN)NC(=O)CCc1cc(F)ccc1F
InChIInChI=1S/C15H22F2N2O/c1-3-15(4-2,10-18)19-14(20)8-5-11-9-12(16)6-7-13(11)17/h6-7,9H,3-5,8,10,18H2,1-2H3,(H,19,20)
InChIKeyRJOPRAPMQHPTBN-UHFFFAOYSA-N
MW284.35 g/mol
LogP2.53
Rot. Bonds7

About N-[3-(aminomethyl)pentan-3-yl]-3-(2,5-difluorophenyl)propanamide

N-[3-(aminomethyl)pentan-3-yl]-3-(2,5-difluorophenyl)propanamide (PubChem CID 119571102) has the molecular formula C15H22F2N2O and a molecular weight of 284.35 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-3-(2,5-difluorophenyl)propanamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-3-(2,5-difluorophenyl)propanamide
PubChem CID119571102
Molecular FormulaC15H22F2N2O
Molecular Weight284.35 g/mol
Exact Mass284.17
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-3-(2,5-difluorophenyl)propanamide
SMILESCCC(CC)(CN)NC(=O)CCc1cc(F)ccc1F
InChIInChI=1S/C15H22F2N2O/c1-3-15(4-2,10-18)19-14(20)8-5-11-9-12(16)6-7-13(11)17/h6-7,9H,3-5,8,10,18H2,1-2H3,(H,19,20)
InChIKeyRJOPRAPMQHPTBN-UHFFFAOYSA-N
XLogP2.53
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-amino-2-methylpropan-2-yl)-3-(2,5-difluorophenyl)propanamide
CID 119524062
N-[3-(aminomethyl)pentan-3-yl]-2,5-difluorobenzamide
CID 63766299
N-[3-(aminomethyl)pentan-3-yl]-3-(2-methylphenyl)propanamide
CID 63765909
N-(1-amino-2-methylpropan-2-yl)-3-(2-chloro-5-fluorophenyl)propanamide
CID 110833378
N-[3-(aminomethyl)pentan-3-yl]-3-[2-(trifluoromethoxy)phenyl]propanamide
CID 119571159
N-[3-(aminomethyl)pentan-3-yl]-3-(2-fluorophenoxy)propanamide
CID 119569535
2-[3-(2,5-difluorophenyl)propanoylamino]butanoic acid
CID 119223283
N-(1-amino-4-methylpentan-2-yl)-3-(2,5-difluorophenyl)propanamide;hydrochloride
CID 119587847
3-(2-aminophenyl)-N-(3-ethylpentan-3-yl)propanamide
CID 65042808
3-(2,5-difluorophenyl)-N-(2-hydroxyethyl)propanamide
CID 110902844
3-(2,5-difluorophenyl)-N-(2-fluoro-4,5-dimethoxyphenyl)propanamide
CID 56782937
N-[3-(aminomethyl)pentan-3-yl]-3-naphthalen-2-ylpropanamide
CID 119571535

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-3-(2,5-difluorophenyl)propanamide?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-3-(2,5-difluorophenyl)propanamide (CID 119571102) is N-[3-(aminomethyl)pentan-3-yl]-3-(2,5-difluorophenyl)propanamide.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-3-(2,5-difluorophenyl)propanamide?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-3-(2,5-difluorophenyl)propanamide is CCC(CC)(CN)NC(=O)CCc1cc(F)ccc1F.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-3-(2,5-difluorophenyl)propanamide?
The InChIKey is RJOPRAPMQHPTBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2O/c1-3-15(4-2,10-18)19-14(20)8-5-11-9-12(16)6-7-13(11)17/h6-7,9H,3-5,8,10,18H2,1-2H3,(H,19,20).
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-3-(2,5-difluorophenyl)propanamide?
N-[3-(aminomethyl)pentan-3-yl]-3-(2,5-difluorophenyl)propanamide has a molecular weight of 284.35 g/mol, XLogP of 2.53, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-3-(2,5-difluorophenyl)propanamide is sourced from PubChem (CID 119571102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).