2-(aminomethyl)-3-(4-fluoro-3-methylphenyl)-N-propan-2-ylpropanamide

C14H21FN2O — CID 62121929

IUPAC2-(aminomethyl)-3-(4-fluoro-3-methylphenyl)-N-propan-2-ylpropanamide
SMILESCc1cc(CC(CN)C(=O)NC(C)C)ccc1F
InChIInChI=1S/C14H21FN2O/c1-9(2)17-14(18)12(8-16)7-11-4-5-13(15)10(3)6-11/h4-6,9,12H,7-8,16H2,1-3H3,(H,17,18)
InChIKeyUDFVVLAXSNDOME-UHFFFAOYSA-N
MW252.33 g/mol
LogP1.78
Rot. Bonds5

About 2-(aminomethyl)-3-(4-fluoro-3-methylphenyl)-N-propan-2-ylpropanamide

2-(aminomethyl)-3-(4-fluoro-3-methylphenyl)-N-propan-2-ylpropanamide (PubChem CID 62121929) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 2-(aminomethyl)-3-(4-fluoro-3-methylphenyl)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-(aminomethyl)-3-(4-fluoro-3-methylphenyl)-N-propan-2-ylpropanamide
PubChem CID62121929
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name2-(aminomethyl)-3-(4-fluoro-3-methylphenyl)-N-propan-2-ylpropanamide
SMILESCc1cc(CC(CN)C(=O)NC(C)C)ccc1F
InChIInChI=1S/C14H21FN2O/c1-9(2)17-14(18)12(8-16)7-11-4-5-13(15)10(3)6-11/h4-6,9,12H,7-8,16H2,1-3H3,(H,17,18)
InChIKeyUDFVVLAXSNDOME-UHFFFAOYSA-N
XLogP1.78
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-(aminomethyl)-3-(4-fluoro-3-methylphenyl)propanoate
CID 62121590
2-(aminomethyl)-3-(3-fluoro-4-methoxyphenyl)-N-propan-2-ylpropanamide
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2-(aminomethyl)-3-(4-fluoro-3-methylphenyl)-N,N-dimethylpropanamide
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2-(aminomethyl)-3-(2,5-difluorophenyl)-N-propan-2-ylpropanamide
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2-(aminomethyl)-3-(2-methylquinolin-6-yl)-N-propan-2-ylpropanamide
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2-(aminomethyl)-3-(2,4-dimethylphenyl)-N-propan-2-ylpropanamide
CID 62083291
2-(aminomethyl)-3-(3-methoxyphenyl)-N-propan-2-ylpropanamide
CID 62081174
2-(aminomethyl)-3-(3,4-difluorophenyl)-N-propylpropanamide
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4-(4-fluoro-3-methylphenyl)-3-(propan-2-ylamino)butanoic acid
CID 82350847
2-[(4-fluoro-3-methylphenyl)methyl]propanedioic acid
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4-(4-fluoro-3-methylphenyl)-3-methylbutan-1-amine
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(2S)-2-amino-3-(4-fluoro-3-methylphenyl)propanoic acid;hydrochloride
CID 162344184

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-(4-fluoro-3-methylphenyl)-N-propan-2-ylpropanamide?
The IUPAC name of 2-(aminomethyl)-3-(4-fluoro-3-methylphenyl)-N-propan-2-ylpropanamide (CID 62121929) is 2-(aminomethyl)-3-(4-fluoro-3-methylphenyl)-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-(aminomethyl)-3-(4-fluoro-3-methylphenyl)-N-propan-2-ylpropanamide?
The canonical SMILES for 2-(aminomethyl)-3-(4-fluoro-3-methylphenyl)-N-propan-2-ylpropanamide is Cc1cc(CC(CN)C(=O)NC(C)C)ccc1F.
What is the InChIKey of 2-(aminomethyl)-3-(4-fluoro-3-methylphenyl)-N-propan-2-ylpropanamide?
The InChIKey is UDFVVLAXSNDOME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-9(2)17-14(18)12(8-16)7-11-4-5-13(15)10(3)6-11/h4-6,9,12H,7-8,16H2,1-3H3,(H,17,18).
What are the key properties of 2-(aminomethyl)-3-(4-fluoro-3-methylphenyl)-N-propan-2-ylpropanamide?
2-(aminomethyl)-3-(4-fluoro-3-methylphenyl)-N-propan-2-ylpropanamide has a molecular weight of 252.33 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-(4-fluoro-3-methylphenyl)-N-propan-2-ylpropanamide is sourced from PubChem (CID 62121929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).