N-[2-(4-chloro-2,6-dimethylphenoxy)ethyl]-3-methylbutan-1-amine

C15H24ClNO — CID 63507030

IUPACN-[2-(4-chloro-2,6-dimethylphenoxy)ethyl]-3-methylbutan-1-amine
SMILESCc1cc(Cl)cc(C)c1OCCNCCC(C)C
InChIInChI=1S/C15H24ClNO/c1-11(2)5-6-17-7-8-18-15-12(3)9-14(16)10-13(15)4/h9-11,17H,5-8H2,1-4H3
InChIKeyYQAGEWNCHKYNMA-UHFFFAOYSA-N
MW269.82 g/mol
LogP3.97
Rot. Bonds7

About N-[2-(4-chloro-2,6-dimethylphenoxy)ethyl]-3-methylbutan-1-amine

N-[2-(4-chloro-2,6-dimethylphenoxy)ethyl]-3-methylbutan-1-amine (PubChem CID 63507030) has the molecular formula C15H24ClNO and a molecular weight of 269.82 g/mol. Its IUPAC name is N-[2-(4-chloro-2,6-dimethylphenoxy)ethyl]-3-methylbutan-1-amine.

Molecular Properties

Compound NameN-[2-(4-chloro-2,6-dimethylphenoxy)ethyl]-3-methylbutan-1-amine
PubChem CID63507030
Molecular FormulaC15H24ClNO
Molecular Weight269.82 g/mol
Exact Mass269.15
IUPAC NameN-[2-(4-chloro-2,6-dimethylphenoxy)ethyl]-3-methylbutan-1-amine
SMILESCc1cc(Cl)cc(C)c1OCCNCCC(C)C
InChIInChI=1S/C15H24ClNO/c1-11(2)5-6-17-7-8-18-15-12(3)9-14(16)10-13(15)4/h9-11,17H,5-8H2,1-4H3
InChIKeyYQAGEWNCHKYNMA-UHFFFAOYSA-N
XLogP3.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[2-(4-chloro-2,6-dimethylphenoxy)ethyl]-3-methylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-chloro-2,6-dimethylphenoxy)-N-(2-methylpropyl)butan-1-amine
CID 55221312
5-chloro-2-[2-(4-chloro-2,6-dimethylphenoxy)ethoxy]-1,3-dimethylbenzene
CID 123242846
4-(4-chloro-2,6-dimethylphenoxy)-N-propan-2-ylbutan-1-amine
CID 62450741
N-[2-(2-chloro-4-methylphenoxy)ethyl]-3-methylbutan-1-amine
CID 62672412
N-[2-(2-chloro-5-methylphenoxy)ethyl]-3-methylbutan-1-amine
CID 62599104
N-[2-(4-bromo-2-methylphenoxy)ethyl]-3-methylbutan-1-amine
CID 63517078
2-(2,4-dichloro-6-methylphenoxy)-N-methylethanamine;hydrochloride
CID 44828457
1,3,5-trichloro-2-(3-methylbutoxy)benzene
CID 91691972
N-[2-(2-bromo-4-chloro-6-methylphenoxy)ethyl]prop-2-en-1-amine;hydrochloride
CID 2994493
N-[[3,5-dimethyl-4-(3-methylbutoxy)phenyl]methyl]propan-1-amine
CID 43276751
N-[2-(4-bromo-2-chloro-6-methylphenoxy)ethyl]-5-methylhexan-2-amine
CID 63515570
3-methyl-N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]butan-1-amine
CID 63506069

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloro-2,6-dimethylphenoxy)ethyl]-3-methylbutan-1-amine?
The IUPAC name of N-[2-(4-chloro-2,6-dimethylphenoxy)ethyl]-3-methylbutan-1-amine (CID 63507030) is N-[2-(4-chloro-2,6-dimethylphenoxy)ethyl]-3-methylbutan-1-amine.
What is the SMILES notation for N-[2-(4-chloro-2,6-dimethylphenoxy)ethyl]-3-methylbutan-1-amine?
The canonical SMILES for N-[2-(4-chloro-2,6-dimethylphenoxy)ethyl]-3-methylbutan-1-amine is Cc1cc(Cl)cc(C)c1OCCNCCC(C)C.
What is the InChIKey of N-[2-(4-chloro-2,6-dimethylphenoxy)ethyl]-3-methylbutan-1-amine?
The InChIKey is YQAGEWNCHKYNMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO/c1-11(2)5-6-17-7-8-18-15-12(3)9-14(16)10-13(15)4/h9-11,17H,5-8H2,1-4H3.
What are the key properties of N-[2-(4-chloro-2,6-dimethylphenoxy)ethyl]-3-methylbutan-1-amine?
N-[2-(4-chloro-2,6-dimethylphenoxy)ethyl]-3-methylbutan-1-amine has a molecular weight of 269.82 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloro-2,6-dimethylphenoxy)ethyl]-3-methylbutan-1-amine is sourced from PubChem (CID 63507030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).