2-[1-(aminomethyl)cyclobutyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide

C15H21FN2O — CID 81349203

IUPAC2-[1-(aminomethyl)cyclobutyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
SMILESC[C@H](NC(=O)CC1(CN)CCC1)c1ccc(F)cc1
InChIInChI=1S/C15H21FN2O/c1-11(12-3-5-13(16)6-4-12)18-14(19)9-15(10-17)7-2-8-15/h3-6,11H,2,7-10,17H2,1H3,(H,18,19)/t11-/m0/s1
InChIKeyMTSODNOUEAWQEK-NSHDSACASA-N
MW264.34 g/mol
LogP2.52
Rot. Bonds5

About 2-[1-(aminomethyl)cyclobutyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide

2-[1-(aminomethyl)cyclobutyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide (PubChem CID 81349203) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclobutyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclobutyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
PubChem CID81349203
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name2-[1-(aminomethyl)cyclobutyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
SMILESC[C@H](NC(=O)CC1(CN)CCC1)c1ccc(F)cc1
InChIInChI=1S/C15H21FN2O/c1-11(12-3-5-13(16)6-4-12)18-14(19)9-15(10-17)7-2-8-15/h3-6,11H,2,7-10,17H2,1H3,(H,18,19)/t11-/m0/s1
InChIKeyMTSODNOUEAWQEK-NSHDSACASA-N
XLogP2.52
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(aminomethyl)cyclobutyl]-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]acetamide
CID 81171953
1-(aminomethyl)-N-[1-(4-fluorophenyl)ethyl]cyclobutane-1-carboxamide
CID 80588663
1-[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 60662211
2-[1-(aminomethyl)cyclobutyl]-N-[1-(5-methylfuran-2-yl)ethyl]acetamide
CID 81178711
2-[1-(aminomethyl)cyclohexyl]-N-[(1R)-1-pyridin-3-ylethyl]acetamide
CID 104678520
3-amino-N-[1-(4-fluorophenyl)ethyl]propanamide
CID 61247716
2-[1-(aminomethyl)cyclobutyl]-N-(1-pyridin-2-ylethyl)acetamide
CID 81179768
2-[1-(aminomethyl)cyclobutyl]-N-(3-methylbutan-2-yl)acetamide
CID 81179592
2-[1-(aminomethyl)cyclobutyl]-N-but-3-yn-2-ylacetamide
CID 114417116
4-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]butanamide
CID 81350119
2-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 4878219
4-(aminomethyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]oxane-4-carboxamide
CID 115439757

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide?
The IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide (CID 81349203) is 2-[1-(aminomethyl)cyclobutyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-[1-(aminomethyl)cyclobutyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-[1-(aminomethyl)cyclobutyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide is C[C@H](NC(=O)CC1(CN)CCC1)c1ccc(F)cc1.
What is the InChIKey of 2-[1-(aminomethyl)cyclobutyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide?
The InChIKey is MTSODNOUEAWQEK-NSHDSACASA-N. The full InChI is InChI=1S/C15H21FN2O/c1-11(12-3-5-13(16)6-4-12)18-14(19)9-15(10-17)7-2-8-15/h3-6,11H,2,7-10,17H2,1H3,(H,18,19)/t11-/m0/s1.
What are the key properties of 2-[1-(aminomethyl)cyclobutyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide?
2-[1-(aminomethyl)cyclobutyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide has a molecular weight of 264.34 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclobutyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 81349203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).