1-(aminomethyl)-N-ethyl-N-[(3-fluorophenyl)methyl]cyclopentane-1-carboxamide

C16H23FN2O — CID 81489842

IUPAC1-(aminomethyl)-N-ethyl-N-[(3-fluorophenyl)methyl]cyclopentane-1-carboxamide
SMILESCCN(Cc1cccc(F)c1)C(=O)C1(CN)CCCC1
InChIInChI=1S/C16H23FN2O/c1-2-19(11-13-6-5-7-14(17)10-13)15(20)16(12-18)8-3-4-9-16/h5-7,10H,2-4,8-9,11-12,18H2,1H3
InChIKeyMGWOAPHBMHAKGC-UHFFFAOYSA-N
MW278.37 g/mol
LogP2.69
Rot. Bonds5

About 1-(aminomethyl)-N-ethyl-N-[(3-fluorophenyl)methyl]cyclopentane-1-carboxamide

1-(aminomethyl)-N-ethyl-N-[(3-fluorophenyl)methyl]cyclopentane-1-carboxamide (PubChem CID 81489842) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is 1-(aminomethyl)-N-ethyl-N-[(3-fluorophenyl)methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-ethyl-N-[(3-fluorophenyl)methyl]cyclopentane-1-carboxamide
PubChem CID81489842
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC Name1-(aminomethyl)-N-ethyl-N-[(3-fluorophenyl)methyl]cyclopentane-1-carboxamide
SMILESCCN(Cc1cccc(F)c1)C(=O)C1(CN)CCCC1
InChIInChI=1S/C16H23FN2O/c1-2-19(11-13-6-5-7-14(17)10-13)15(20)16(12-18)8-3-4-9-16/h5-7,10H,2-4,8-9,11-12,18H2,1H3
InChIKeyMGWOAPHBMHAKGC-UHFFFAOYSA-N
XLogP2.69
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-N-ethyl-N-[(3-methylphenyl)methyl]cyclobutane-1-carboxamide
CID 115448036
N-ethyl-N-[(3-fluorophenyl)methyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120618338
(2R)-2-amino-N-ethyl-N-[(3-fluorophenyl)methyl]propanamide
CID 78973383
2-amino-N-ethyl-N-[(3-fluorophenyl)methyl]cyclopropane-1-carboxamide
CID 55036056
2-chloro-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide
CID 9317159
1-(aminomethyl)-N-[[4-(dimethylamino)phenyl]methyl]-N-ethylcyclopropane-1-carboxamide
CID 115452807
3-amino-N-ethyl-N-[(3-fluorophenyl)methyl]-2-methoxypropanamide
CID 106111947
trans-(1S,2S)-2-amino-N-ethyl-N-[(3-fluorophenyl)methyl]cyclopentane-1-carboxamide
CID 97033071
phenyl N-ethyl-N-[(3-fluorophenyl)methyl]carbamate
CID 60655409
3-amino-N-ethyl-4-fluoro-N-[(3-fluorophenyl)methyl]benzamide
CID 61138218
3-cyclopentyl-1-ethyl-1-[(3-fluorophenyl)methyl]urea
CID 38162216
1-amino-N-[(3-fluorophenyl)methyl]-N-methylcyclopropane-1-carboxamide
CID 65466557

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-ethyl-N-[(3-fluorophenyl)methyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-ethyl-N-[(3-fluorophenyl)methyl]cyclopentane-1-carboxamide (CID 81489842) is 1-(aminomethyl)-N-ethyl-N-[(3-fluorophenyl)methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-ethyl-N-[(3-fluorophenyl)methyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-ethyl-N-[(3-fluorophenyl)methyl]cyclopentane-1-carboxamide is CCN(Cc1cccc(F)c1)C(=O)C1(CN)CCCC1.
What is the InChIKey of 1-(aminomethyl)-N-ethyl-N-[(3-fluorophenyl)methyl]cyclopentane-1-carboxamide?
The InChIKey is MGWOAPHBMHAKGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O/c1-2-19(11-13-6-5-7-14(17)10-13)15(20)16(12-18)8-3-4-9-16/h5-7,10H,2-4,8-9,11-12,18H2,1H3.
What are the key properties of 1-(aminomethyl)-N-ethyl-N-[(3-fluorophenyl)methyl]cyclopentane-1-carboxamide?
1-(aminomethyl)-N-ethyl-N-[(3-fluorophenyl)methyl]cyclopentane-1-carboxamide has a molecular weight of 278.37 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-ethyl-N-[(3-fluorophenyl)methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 81489842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).