1-amino-N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide

C17H26FN3O — CID 119850679

IUPAC1-amino-N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide
SMILESCN(C)C(CNC(=O)C1(N)CCCCC1)c1ccc(F)cc1
InChIInChI=1S/C17H26FN3O/c1-21(2)15(13-6-8-14(18)9-7-13)12-20-16(22)17(19)10-4-3-5-11-17/h6-9,15H,3-5,10-12,19H2,1-2H3,(H,20,22)
InChIKeyYPVLLNIMTVPYQC-UHFFFAOYSA-N
MW307.41 g/mol
LogP2.21
Rot. Bonds5

About 1-amino-N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide

1-amino-N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide (PubChem CID 119850679) has the molecular formula C17H26FN3O and a molecular weight of 307.41 g/mol. Its IUPAC name is 1-amino-N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide
PubChem CID119850679
Molecular FormulaC17H26FN3O
Molecular Weight307.41 g/mol
Exact Mass307.21
IUPAC Name1-amino-N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide
SMILESCN(C)C(CNC(=O)C1(N)CCCCC1)c1ccc(F)cc1
InChIInChI=1S/C17H26FN3O/c1-21(2)15(13-6-8-14(18)9-7-13)12-20-16(22)17(19)10-4-3-5-11-17/h6-9,15H,3-5,10-12,19H2,1-2H3,(H,20,22)
InChIKeyYPVLLNIMTVPYQC-UHFFFAOYSA-N
XLogP2.21
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.41
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 61250903
1-amino-N-[2-(4-fluorophenyl)-2-methoxyethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119343019
1-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide
CID 81350015
1-amino-N-[2-(4-fluorophenoxy)propyl]cyclopentane-1-carboxamide
CID 119335506
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1-amino-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119832261
1-amino-N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]cyclopentane-1-carboxamide
CID 60852822
1-amino-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]cyclobutane-1-carboxamide
CID 81172793
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-hydroxycyclopentane-1-carboxamide
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N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-(4-fluorophenyl)acetamide
CID 45001828
N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-2-(4-fluorophenyl)acetamide
CID 7495843
N-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide
CID 95268454

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide (CID 119850679) is 1-amino-N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide is CN(C)C(CNC(=O)C1(N)CCCCC1)c1ccc(F)cc1.
What is the InChIKey of 1-amino-N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide?
The InChIKey is YPVLLNIMTVPYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN3O/c1-21(2)15(13-6-8-14(18)9-7-13)12-20-16(22)17(19)10-4-3-5-11-17/h6-9,15H,3-5,10-12,19H2,1-2H3,(H,20,22).
What are the key properties of 1-amino-N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide?
1-amino-N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide has a molecular weight of 307.41 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 119850679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).