1-(aminomethyl)-N-[3-chloro-4-(dimethylamino)phenyl]cyclohexane-1-carboxamide

C16H24ClN3O — CID 115437474

IUPAC1-(aminomethyl)-N-[3-chloro-4-(dimethylamino)phenyl]cyclohexane-1-carboxamide
SMILESCN(C)c1ccc(NC(=O)C2(CN)CCCCC2)cc1Cl
InChIInChI=1S/C16H24ClN3O/c1-20(2)14-7-6-12(10-13(14)17)19-15(21)16(11-18)8-4-3-5-9-16/h6-7,10H,3-5,8-9,11,18H2,1-2H3,(H,19,21)
InChIKeyRYEFPGGTRORBRC-UHFFFAOYSA-N
MW309.84 g/mol
LogP3.25
Rot. Bonds4

About 1-(aminomethyl)-N-[3-chloro-4-(dimethylamino)phenyl]cyclohexane-1-carboxamide

1-(aminomethyl)-N-[3-chloro-4-(dimethylamino)phenyl]cyclohexane-1-carboxamide (PubChem CID 115437474) has the molecular formula C16H24ClN3O and a molecular weight of 309.84 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[3-chloro-4-(dimethylamino)phenyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-[3-chloro-4-(dimethylamino)phenyl]cyclohexane-1-carboxamide
PubChem CID115437474
Molecular FormulaC16H24ClN3O
Molecular Weight309.84 g/mol
Exact Mass309.16
IUPAC Name1-(aminomethyl)-N-[3-chloro-4-(dimethylamino)phenyl]cyclohexane-1-carboxamide
SMILESCN(C)c1ccc(NC(=O)C2(CN)CCCCC2)cc1Cl
InChIInChI=1S/C16H24ClN3O/c1-20(2)14-7-6-12(10-13(14)17)19-15(21)16(11-18)8-4-3-5-9-16/h6-7,10H,3-5,8-9,11,18H2,1-2H3,(H,19,21)
InChIKeyRYEFPGGTRORBRC-UHFFFAOYSA-N
XLogP3.25
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-amino-N-[3-chloro-4-(dimethylamino)phenyl]cyclobutane-1-carboxamide
CID 81171852
4-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-2-chlorobenzoic acid
CID 115435206
1-(aminomethyl)-N-(4-chloro-3-fluorophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119708329
1-(aminomethyl)-N-(3-iodo-4-methylphenyl)cyclohexane-1-carboxamide
CID 115437382
1-(aminomethyl)-N-(4-hydroxyphenyl)cyclohexane-1-carboxamide
CID 115437412
1-(aminomethyl)-N-[4-(carbamoylamino)phenyl]cyclohexane-1-carboxamide
CID 115437417
1-(aminomethyl)-N-(2,5-dichlorophenyl)cycloheptane-1-carboxamide
CID 115443708
1-(aminomethyl)-N-(4-bromo-3-fluorophenyl)cycloheptane-1-carboxamide
CID 115444172
1-(aminomethyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclobutane-1-carboxamide
CID 80588839
1-(aminomethyl)-N-(4-fluoro-3-methoxyphenyl)cycloheptane-1-carboxamide
CID 114839160
1-(aminomethyl)-N-(3-bromo-4-chlorophenyl)cyclopropane-1-carboxamide
CID 115453515
N-[3-chloro-4-(dimethylamino)phenyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 55825786

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[3-chloro-4-(dimethylamino)phenyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-[3-chloro-4-(dimethylamino)phenyl]cyclohexane-1-carboxamide (CID 115437474) is 1-(aminomethyl)-N-[3-chloro-4-(dimethylamino)phenyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-[3-chloro-4-(dimethylamino)phenyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-[3-chloro-4-(dimethylamino)phenyl]cyclohexane-1-carboxamide is CN(C)c1ccc(NC(=O)C2(CN)CCCCC2)cc1Cl.
What is the InChIKey of 1-(aminomethyl)-N-[3-chloro-4-(dimethylamino)phenyl]cyclohexane-1-carboxamide?
The InChIKey is RYEFPGGTRORBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O/c1-20(2)14-7-6-12(10-13(14)17)19-15(21)16(11-18)8-4-3-5-9-16/h6-7,10H,3-5,8-9,11,18H2,1-2H3,(H,19,21).
What are the key properties of 1-(aminomethyl)-N-[3-chloro-4-(dimethylamino)phenyl]cyclohexane-1-carboxamide?
1-(aminomethyl)-N-[3-chloro-4-(dimethylamino)phenyl]cyclohexane-1-carboxamide has a molecular weight of 309.84 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[3-chloro-4-(dimethylamino)phenyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 115437474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).