1-chloro-2-methyl-N-[(2,4,6-trimethylphenyl)methyl]butan-2-amine

C15H24ClN — CID 65025267

IUPAC1-chloro-2-methyl-N-[(2,4,6-trimethylphenyl)methyl]butan-2-amine
SMILESCCC(C)(CCl)NCc1c(C)cc(C)cc1C
InChIInChI=1S/C15H24ClN/c1-6-15(5,10-16)17-9-14-12(3)7-11(2)8-13(14)4/h7-8,17H,6,9-10H2,1-5H3
InChIKeyOKZZXSPYVYAGSV-UHFFFAOYSA-N
MW253.82 g/mol
LogP4.11
Rot. Bonds5

About 1-chloro-2-methyl-N-[(2,4,6-trimethylphenyl)methyl]butan-2-amine

1-chloro-2-methyl-N-[(2,4,6-trimethylphenyl)methyl]butan-2-amine (PubChem CID 65025267) has the molecular formula C15H24ClN and a molecular weight of 253.82 g/mol. Its IUPAC name is 1-chloro-2-methyl-N-[(2,4,6-trimethylphenyl)methyl]butan-2-amine.

Molecular Properties

Compound Name1-chloro-2-methyl-N-[(2,4,6-trimethylphenyl)methyl]butan-2-amine
PubChem CID65025267
Molecular FormulaC15H24ClN
Molecular Weight253.82 g/mol
Exact Mass253.16
IUPAC Name1-chloro-2-methyl-N-[(2,4,6-trimethylphenyl)methyl]butan-2-amine
SMILESCCC(C)(CCl)NCc1c(C)cc(C)cc1C
InChIInChI=1S/C15H24ClN/c1-6-15(5,10-16)17-9-14-12(3)7-11(2)8-13(14)4/h7-8,17H,6,9-10H2,1-5H3
InChIKeyOKZZXSPYVYAGSV-UHFFFAOYSA-N
XLogP4.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.82
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Benzylamine, N,N-bis(2-chloroethyl)-2,4,6-trimethyl-
CID 35313
Benzylamine, N,N-bis(2-chloroethyl)-2,4,5-trimethyl-
CID 35328
Ici 42464
CID 30251
2-Chloro-N-ethyl-N-((naphthalen-2-yl)methyl)ethan-1-amine--hydrogen chloride (1/1)
CID 14620
Novembitol
CID 44563325
4-(Chloromethyl)-2,2-dimethyl-1,2,3,4-tetrahydrobenzo[f]isoquinoline
CID 610889
Benzylamine, N-(2-chloroethyl)-N,p-diethyl-, hydrochloride
CID 46226
Benzylamine, 2-tert-butyl-N-(2-chloroethyl)-4,6-dimethyl-N-ethyl-, hydrochloride
CID 48343
2-Chloro-N-ethyl-N-((4-(propan-2-yl)phenyl)methyl)ethan-1-amine--hydrogen chloride (1/1)
CID 48349
2-(2,5-Dimethylphenyl)pyrrolidine
CID 4715076
2-(3,4-Dimethylphenyl)pyrrolidine
CID 4715235
[1-(2,4-Dimethylphenyl)ethyl](methyl)amine
CID 16776999

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-methyl-N-[(2,4,6-trimethylphenyl)methyl]butan-2-amine?
The IUPAC name of 1-chloro-2-methyl-N-[(2,4,6-trimethylphenyl)methyl]butan-2-amine (CID 65025267) is 1-chloro-2-methyl-N-[(2,4,6-trimethylphenyl)methyl]butan-2-amine.
What is the SMILES notation for 1-chloro-2-methyl-N-[(2,4,6-trimethylphenyl)methyl]butan-2-amine?
The canonical SMILES for 1-chloro-2-methyl-N-[(2,4,6-trimethylphenyl)methyl]butan-2-amine is CCC(C)(CCl)NCc1c(C)cc(C)cc1C.
What is the InChIKey of 1-chloro-2-methyl-N-[(2,4,6-trimethylphenyl)methyl]butan-2-amine?
The InChIKey is OKZZXSPYVYAGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN/c1-6-15(5,10-16)17-9-14-12(3)7-11(2)8-13(14)4/h7-8,17H,6,9-10H2,1-5H3.
What are the key properties of 1-chloro-2-methyl-N-[(2,4,6-trimethylphenyl)methyl]butan-2-amine?
1-chloro-2-methyl-N-[(2,4,6-trimethylphenyl)methyl]butan-2-amine has a molecular weight of 253.82 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-methyl-N-[(2,4,6-trimethylphenyl)methyl]butan-2-amine is sourced from PubChem (CID 65025267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).