N-(1-aminohexan-2-yl)-2-(2-fluorophenyl)-2-methylpropanamide

C16H25FN2O — CID 119666719

IUPACN-(1-aminohexan-2-yl)-2-(2-fluorophenyl)-2-methylpropanamide
SMILESCCCCC(CN)NC(=O)C(C)(C)c1ccccc1F
InChIInChI=1S/C16H25FN2O/c1-4-5-8-12(11-18)19-15(20)16(2,3)13-9-6-7-10-14(13)17/h6-7,9-10,12H,4-5,8,11,18H2,1-3H3,(H,19,20)
InChIKeyJAWKZXRILGEQGV-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.74
Rot. Bonds7

About N-(1-aminohexan-2-yl)-2-(2-fluorophenyl)-2-methylpropanamide

N-(1-aminohexan-2-yl)-2-(2-fluorophenyl)-2-methylpropanamide (PubChem CID 119666719) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-2-(2-fluorophenyl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-2-(2-fluorophenyl)-2-methylpropanamide
PubChem CID119666719
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC NameN-(1-aminohexan-2-yl)-2-(2-fluorophenyl)-2-methylpropanamide
SMILESCCCCC(CN)NC(=O)C(C)(C)c1ccccc1F
InChIInChI=1S/C16H25FN2O/c1-4-5-8-12(11-18)19-15(20)16(2,3)13-9-6-7-10-14(13)17/h6-7,9-10,12H,4-5,8,11,18H2,1-3H3,(H,19,20)
InChIKeyJAWKZXRILGEQGV-UHFFFAOYSA-N
XLogP2.74
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 119667782
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CID 119406829
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CID 119668887
2-(2-fluorophenyl)-N,2-dimethylpropanamide
CID 168736996
N-(1-aminohexan-2-yl)-5-(2-fluorophenyl)furan-2-carboxamide
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2-amino-N-(1-aminohexan-2-yl)-2-methylpentanamide
CID 122080967
N-(1-aminohexan-2-yl)-2-methylsulfanyl-2-phenylacetamide
CID 119667243
N-(1-aminohexan-2-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide;hydrochloride
CID 119667198
2-amino-N-(1-aminohexan-2-yl)benzamide
CID 122080973
N-(1-aminohexan-2-yl)-2-methylsulfonylbenzamide
CID 119665949
N-(1-aminohexan-2-yl)-2,4-difluorobenzamide
CID 80698461
N-(1-aminohexan-2-yl)-2,2,4-trimethylpentanamide;hydrochloride
CID 119666304

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-2-(2-fluorophenyl)-2-methylpropanamide?
The IUPAC name of N-(1-aminohexan-2-yl)-2-(2-fluorophenyl)-2-methylpropanamide (CID 119666719) is N-(1-aminohexan-2-yl)-2-(2-fluorophenyl)-2-methylpropanamide.
What is the SMILES notation for N-(1-aminohexan-2-yl)-2-(2-fluorophenyl)-2-methylpropanamide?
The canonical SMILES for N-(1-aminohexan-2-yl)-2-(2-fluorophenyl)-2-methylpropanamide is CCCCC(CN)NC(=O)C(C)(C)c1ccccc1F.
What is the InChIKey of N-(1-aminohexan-2-yl)-2-(2-fluorophenyl)-2-methylpropanamide?
The InChIKey is JAWKZXRILGEQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-4-5-8-12(11-18)19-15(20)16(2,3)13-9-6-7-10-14(13)17/h6-7,9-10,12H,4-5,8,11,18H2,1-3H3,(H,19,20).
What are the key properties of N-(1-aminohexan-2-yl)-2-(2-fluorophenyl)-2-methylpropanamide?
N-(1-aminohexan-2-yl)-2-(2-fluorophenyl)-2-methylpropanamide has a molecular weight of 280.39 g/mol, XLogP of 2.74, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-2-(2-fluorophenyl)-2-methylpropanamide is sourced from PubChem (CID 119666719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).