2-(aminomethyl)-N-[4-(difluoromethoxy)phenyl]-4,4-dimethylpentanamide

C15H22F2N2O2 — CID 107471121

IUPAC2-(aminomethyl)-N-[4-(difluoromethoxy)phenyl]-4,4-dimethylpentanamide
SMILESCC(C)(C)CC(CN)C(=O)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C15H22F2N2O2/c1-15(2,3)8-10(9-18)13(20)19-11-4-6-12(7-5-11)21-14(16)17/h4-7,10,14H,8-9,18H2,1-3H3,(H,19,20)
InChIKeyLGBCHANWOLYENB-UHFFFAOYSA-N
MW300.35 g/mol
LogP3.24
Rot. Bonds6

About 2-(aminomethyl)-N-[4-(difluoromethoxy)phenyl]-4,4-dimethylpentanamide

2-(aminomethyl)-N-[4-(difluoromethoxy)phenyl]-4,4-dimethylpentanamide (PubChem CID 107471121) has the molecular formula C15H22F2N2O2 and a molecular weight of 300.35 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[4-(difluoromethoxy)phenyl]-4,4-dimethylpentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[4-(difluoromethoxy)phenyl]-4,4-dimethylpentanamide
PubChem CID107471121
Molecular FormulaC15H22F2N2O2
Molecular Weight300.35 g/mol
Exact Mass300.16
IUPAC Name2-(aminomethyl)-N-[4-(difluoromethoxy)phenyl]-4,4-dimethylpentanamide
SMILESCC(C)(C)CC(CN)C(=O)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C15H22F2N2O2/c1-15(2,3)8-10(9-18)13(20)19-11-4-6-12(7-5-11)21-14(16)17/h4-7,10,14H,8-9,18H2,1-3H3,(H,19,20)
InChIKeyLGBCHANWOLYENB-UHFFFAOYSA-N
XLogP3.24
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-N-(4-ethoxyphenyl)-4,4-dimethylpentanamide
CID 107470924
2-(aminomethyl)-N-[4-[(dimethylamino)methyl]phenyl]-4,4-dimethylpentanamide
CID 107471403
(2S)-2-amino-N-[(2S)-1-[4-(difluoromethoxy)anilino]propan-2-yl]-4,4-dimethylpentanamide
CID 69195604
2-amino-N-[4-(difluoromethoxy)phenyl]butanediamide;hydrochloride
CID 119955811
2-(aminomethyl)-N-(3-hydroxy-4-methylphenyl)-4,4-dimethylpentanamide
CID 107701269
1,3-bis[4-(difluoromethoxy)phenyl]urea
CID 11537485
(2S)-2-(carbamoylamino)-N-[4-(difluoromethoxy)phenyl]propanamide
CID 32554575
4-amino-N-[4-(difluoromethoxy)phenyl]-3-methoxybutanamide;hydrochloride
CID 120586597
2-(aminomethyl)-N-(4-bromo-3-methylphenyl)-4,4-dimethylpentanamide
CID 107470961
2-(aminomethyl)-4,4-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)pentanamide
CID 107471479
2-(aminomethyl)-N-(1-benzothiophen-5-yl)-4,4-dimethylpentanamide
CID 107471323
2-(aminomethyl)-N-[[4-(difluoromethoxy)phenyl]methyl]butanamide
CID 65229370

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[4-(difluoromethoxy)phenyl]-4,4-dimethylpentanamide?
The IUPAC name of 2-(aminomethyl)-N-[4-(difluoromethoxy)phenyl]-4,4-dimethylpentanamide (CID 107471121) is 2-(aminomethyl)-N-[4-(difluoromethoxy)phenyl]-4,4-dimethylpentanamide.
What is the SMILES notation for 2-(aminomethyl)-N-[4-(difluoromethoxy)phenyl]-4,4-dimethylpentanamide?
The canonical SMILES for 2-(aminomethyl)-N-[4-(difluoromethoxy)phenyl]-4,4-dimethylpentanamide is CC(C)(C)CC(CN)C(=O)Nc1ccc(OC(F)F)cc1.
What is the InChIKey of 2-(aminomethyl)-N-[4-(difluoromethoxy)phenyl]-4,4-dimethylpentanamide?
The InChIKey is LGBCHANWOLYENB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2O2/c1-15(2,3)8-10(9-18)13(20)19-11-4-6-12(7-5-11)21-14(16)17/h4-7,10,14H,8-9,18H2,1-3H3,(H,19,20).
What are the key properties of 2-(aminomethyl)-N-[4-(difluoromethoxy)phenyl]-4,4-dimethylpentanamide?
2-(aminomethyl)-N-[4-(difluoromethoxy)phenyl]-4,4-dimethylpentanamide has a molecular weight of 300.35 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[4-(difluoromethoxy)phenyl]-4,4-dimethylpentanamide is sourced from PubChem (CID 107471121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).