N-[2-[4-(4-chlorophenyl)butyl-methylamino]ethyl]formamide

C14H21ClN2O — CID 142157009

IUPACN-[2-[4-(4-chlorophenyl)butyl-methylamino]ethyl]formamide
SMILESCN(CCCCc1ccc(Cl)cc1)CCNC=O
InChIInChI=1S/C14H21ClN2O/c1-17(11-9-16-12-18)10-3-2-4-13-5-7-14(15)8-6-13/h5-8,12H,2-4,9-11H2,1H3,(H,16,18)
InChIKeyCTAIIHLZWXEEEE-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.34
Rot. Bonds9

About N-[2-[4-(4-chlorophenyl)butyl-methylamino]ethyl]formamide

N-[2-[4-(4-chlorophenyl)butyl-methylamino]ethyl]formamide (PubChem CID 142157009) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is N-[2-[4-(4-chlorophenyl)butyl-methylamino]ethyl]formamide.

Molecular Properties

Compound NameN-[2-[4-(4-chlorophenyl)butyl-methylamino]ethyl]formamide
PubChem CID142157009
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC NameN-[2-[4-(4-chlorophenyl)butyl-methylamino]ethyl]formamide
SMILESCN(CCCCc1ccc(Cl)cc1)CCNC=O
InChIInChI=1S/C14H21ClN2O/c1-17(11-9-16-12-18)10-3-2-4-13-5-7-14(15)8-6-13/h5-8,12H,2-4,9-11H2,1H3,(H,16,18)
InChIKeyCTAIIHLZWXEEEE-UHFFFAOYSA-N
XLogP2.34
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[3-(4-chlorophenyl)propyl-methylamino]propanoic acid
CID 19776431
5-[2-(4-chlorophenyl)ethyl-methylamino]pentanoic acid
CID 115219153
N-tert-butyl-N'-[(4-chlorophenyl)methyl]-N'-methylbutane-1,4-diamine
CID 55069035
N-[2-[hexyl(methyl)amino]ethyl]formamide
CID 54347817
4-(4-chlorophenyl)-N-methylbutan-1-amine;molecular hydrogen
CID 158339832
4-[2-(4-chlorophenyl)ethyl-methylamino]butanoic acid
CID 115218768
N-[2-[methyl-[2-(3-methylphenyl)ethyl]amino]ethyl]formamide
CID 142389999
3-(4-chlorophenyl)propanal;ethane
CID 142069464
4-[4-(4-chlorophenoxy)phenyl]-N,N-dimethylbutan-1-amine
CID 70587646
N-(6-phenylhexyl)formamide
CID 25180077
3-(4-chlorophenyl)propylhydrazine
CID 53402686
3-[4-(4-chlorophenyl)phenyl]-N,N-dimethylpropan-1-amine
CID 10757306

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-chlorophenyl)butyl-methylamino]ethyl]formamide?
The IUPAC name of N-[2-[4-(4-chlorophenyl)butyl-methylamino]ethyl]formamide (CID 142157009) is N-[2-[4-(4-chlorophenyl)butyl-methylamino]ethyl]formamide.
What is the SMILES notation for N-[2-[4-(4-chlorophenyl)butyl-methylamino]ethyl]formamide?
The canonical SMILES for N-[2-[4-(4-chlorophenyl)butyl-methylamino]ethyl]formamide is CN(CCCCc1ccc(Cl)cc1)CCNC=O.
What is the InChIKey of N-[2-[4-(4-chlorophenyl)butyl-methylamino]ethyl]formamide?
The InChIKey is CTAIIHLZWXEEEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-17(11-9-16-12-18)10-3-2-4-13-5-7-14(15)8-6-13/h5-8,12H,2-4,9-11H2,1H3,(H,16,18).
What are the key properties of N-[2-[4-(4-chlorophenyl)butyl-methylamino]ethyl]formamide?
N-[2-[4-(4-chlorophenyl)butyl-methylamino]ethyl]formamide has a molecular weight of 268.79 g/mol, XLogP of 2.34, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-chlorophenyl)butyl-methylamino]ethyl]formamide is sourced from PubChem (CID 142157009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).