4-(4-chloro-2,6-dimethylphenoxy)-N-propan-2-ylbutan-1-amine

C15H24ClNO — CID 62450741

IUPAC4-(4-chloro-2,6-dimethylphenoxy)-N-propan-2-ylbutan-1-amine
SMILESCc1cc(Cl)cc(C)c1OCCCCNC(C)C
InChIInChI=1S/C15H24ClNO/c1-11(2)17-7-5-6-8-18-15-12(3)9-14(16)10-13(15)4/h9-11,17H,5-8H2,1-4H3
InChIKeyBSEKZKDIWSPMOT-UHFFFAOYSA-N
MW269.82 g/mol
LogP4.11
Rot. Bonds7

About 4-(4-chloro-2,6-dimethylphenoxy)-N-propan-2-ylbutan-1-amine

4-(4-chloro-2,6-dimethylphenoxy)-N-propan-2-ylbutan-1-amine (PubChem CID 62450741) has the molecular formula C15H24ClNO and a molecular weight of 269.82 g/mol. Its IUPAC name is 4-(4-chloro-2,6-dimethylphenoxy)-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name4-(4-chloro-2,6-dimethylphenoxy)-N-propan-2-ylbutan-1-amine
PubChem CID62450741
Molecular FormulaC15H24ClNO
Molecular Weight269.82 g/mol
Exact Mass269.15
IUPAC Name4-(4-chloro-2,6-dimethylphenoxy)-N-propan-2-ylbutan-1-amine
SMILESCc1cc(Cl)cc(C)c1OCCCCNC(C)C
InChIInChI=1S/C15H24ClNO/c1-11(2)17-7-5-6-8-18-15-12(3)9-14(16)10-13(15)4/h9-11,17H,5-8H2,1-4H3
InChIKeyBSEKZKDIWSPMOT-UHFFFAOYSA-N
XLogP4.11
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 ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-propan-2-yl-4-(2,4,6-trichlorophenoxy)butan-1-amine
CID 62572065
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
N-[2-(4-chloro-2,6-dimethylphenoxy)ethyl]-3-methylbutan-1-amine
CID 63507030
N-[2-[2-(2,4,6-trichlorophenoxy)ethoxy]ethyl]propan-2-amine
CID 2280812
4-(3,4-dichlorophenoxy)-N-propan-2-ylbutan-1-amine
CID 2298232
5-(4-chloro-2,6-dimethylphenoxy)pentanoic acid
CID 28971752
5-(3,4-dichlorophenoxy)-N-propan-2-ylpentan-1-amine
CID 62485763
5-(2-methyl-5-propan-2-ylphenoxy)-N-propan-2-ylpentan-1-amine
CID 63497734
4-(3-methyl-4-propan-2-ylphenoxy)-N-propan-2-ylbutan-1-amine
CID 55077310
5-chloro-2-[3-(4-chloro-2-fluoro-6-methylphenoxy)propoxy]-1-fluoro-3-methylbenzene
CID 123438097
4-(4-chloro-3-ethylphenoxy)-N-propan-2-ylbutan-1-amine
CID 62485010

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2,6-dimethylphenoxy)-N-propan-2-ylbutan-1-amine?
The IUPAC name of 4-(4-chloro-2,6-dimethylphenoxy)-N-propan-2-ylbutan-1-amine (CID 62450741) is 4-(4-chloro-2,6-dimethylphenoxy)-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 4-(4-chloro-2,6-dimethylphenoxy)-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 4-(4-chloro-2,6-dimethylphenoxy)-N-propan-2-ylbutan-1-amine is Cc1cc(Cl)cc(C)c1OCCCCNC(C)C.
What is the InChIKey of 4-(4-chloro-2,6-dimethylphenoxy)-N-propan-2-ylbutan-1-amine?
The InChIKey is BSEKZKDIWSPMOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO/c1-11(2)17-7-5-6-8-18-15-12(3)9-14(16)10-13(15)4/h9-11,17H,5-8H2,1-4H3.
What are the key properties of 4-(4-chloro-2,6-dimethylphenoxy)-N-propan-2-ylbutan-1-amine?
4-(4-chloro-2,6-dimethylphenoxy)-N-propan-2-ylbutan-1-amine has a molecular weight of 269.82 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2,6-dimethylphenoxy)-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 62450741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).