4-(aminomethyl)-N-[1-(3-fluorophenyl)ethyl]cyclohexane-1-carboxamide

C16H23FN2O — CID 79526822

IUPAC4-(aminomethyl)-N-[1-(3-fluorophenyl)ethyl]cyclohexane-1-carboxamide
SMILESCC(NC(=O)C1CCC(CN)CC1)c1cccc(F)c1
InChIInChI=1S/C16H23FN2O/c1-11(14-3-2-4-15(17)9-14)19-16(20)13-7-5-12(10-18)6-8-13/h2-4,9,11-13H,5-8,10,18H2,1H3,(H,19,20)
InChIKeyRVDZLZVJHOMOAQ-UHFFFAOYSA-N
MW278.37 g/mol
LogP2.77
Rot. Bonds4

About 4-(aminomethyl)-N-[1-(3-fluorophenyl)ethyl]cyclohexane-1-carboxamide

4-(aminomethyl)-N-[1-(3-fluorophenyl)ethyl]cyclohexane-1-carboxamide (PubChem CID 79526822) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[1-(3-fluorophenyl)ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[1-(3-fluorophenyl)ethyl]cyclohexane-1-carboxamide
PubChem CID79526822
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC Name4-(aminomethyl)-N-[1-(3-fluorophenyl)ethyl]cyclohexane-1-carboxamide
SMILESCC(NC(=O)C1CCC(CN)CC1)c1cccc(F)c1
InChIInChI=1S/C16H23FN2O/c1-11(14-3-2-4-15(17)9-14)19-16(20)13-7-5-12(10-18)6-8-13/h2-4,9,11-13H,5-8,10,18H2,1H3,(H,19,20)
InChIKeyRVDZLZVJHOMOAQ-UHFFFAOYSA-N
XLogP2.77
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-fluorophenyl)ethyl]cyclopropanecarboxamide
CID 60630491
4-(aminomethyl)-N-[(1S)-1-(3-methylphenyl)ethyl]cyclohexane-1-carboxamide
CID 81361448
3-amino-N-[(1S)-1-(3-fluorophenyl)ethyl]cyclopentane-1-carboxamide
CID 81365977
3-amino-N-[1-(3-fluorophenyl)ethyl]cyclopentane-1-carboxamide
CID 66008581
1-acetyl-N-[1-(3-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 42907119
N-[1-(3-fluorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 63005470
4-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]cyclohexane-1-carboxamide
CID 79527625
N-[(1S)-1-(3-fluorophenyl)ethyl]-2-methylpiperidine-4-carboxamide
CID 106740405
1-N-cyclopropyl-4-N-[1-(3-fluorophenyl)ethyl]piperidine-1,4-dicarboxamide
CID 51083881
2-amino-N-[(1S)-1-(3-fluorophenyl)ethyl]cyclopentane-1-carboxamide
CID 81366049
2-amino-N-[(1R)-1-(3-fluorophenyl)ethyl]cyclohexane-1-carboxamide
CID 81365382
4-amino-N-[(1R)-1-(3-chlorophenyl)ethyl]cyclohexane-1-carboxamide
CID 81371570

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[1-(3-fluorophenyl)ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-[1-(3-fluorophenyl)ethyl]cyclohexane-1-carboxamide (CID 79526822) is 4-(aminomethyl)-N-[1-(3-fluorophenyl)ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-[1-(3-fluorophenyl)ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-[1-(3-fluorophenyl)ethyl]cyclohexane-1-carboxamide is CC(NC(=O)C1CCC(CN)CC1)c1cccc(F)c1.
What is the InChIKey of 4-(aminomethyl)-N-[1-(3-fluorophenyl)ethyl]cyclohexane-1-carboxamide?
The InChIKey is RVDZLZVJHOMOAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O/c1-11(14-3-2-4-15(17)9-14)19-16(20)13-7-5-12(10-18)6-8-13/h2-4,9,11-13H,5-8,10,18H2,1H3,(H,19,20).
What are the key properties of 4-(aminomethyl)-N-[1-(3-fluorophenyl)ethyl]cyclohexane-1-carboxamide?
4-(aminomethyl)-N-[1-(3-fluorophenyl)ethyl]cyclohexane-1-carboxamide has a molecular weight of 278.37 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[1-(3-fluorophenyl)ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 79526822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).