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

C15H24ClNO — CID 63498349

IUPAC2-(4-chloro-2,6-dimethylphenoxy)-N-propylbutan-1-amine
SMILESCCCNCC(CC)Oc1c(C)cc(Cl)cc1C
InChIInChI=1S/C15H24ClNO/c1-5-7-17-10-14(6-2)18-15-11(3)8-13(16)9-12(15)4/h8-9,14,17H,5-7,10H2,1-4H3
InChIKeyPMQOBENUAZFKFR-UHFFFAOYSA-N
MW269.82 g/mol
LogP4.11
Rot. Bonds7

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

2-(4-chloro-2,6-dimethylphenoxy)-N-propylbutan-1-amine (PubChem CID 63498349) has the molecular formula C15H24ClNO and a molecular weight of 269.82 g/mol. Its IUPAC name is 2-(4-chloro-2,6-dimethylphenoxy)-N-propylbutan-1-amine.

Molecular Properties

Compound Name2-(4-chloro-2,6-dimethylphenoxy)-N-propylbutan-1-amine
PubChem CID63498349
Molecular FormulaC15H24ClNO
Molecular Weight269.82 g/mol
Exact Mass269.15
IUPAC Name2-(4-chloro-2,6-dimethylphenoxy)-N-propylbutan-1-amine
SMILESCCCNCC(CC)Oc1c(C)cc(Cl)cc1C
InChIInChI=1S/C15H24ClNO/c1-5-7-17-10-14(6-2)18-15-11(3)8-13(16)9-12(15)4/h8-9,14,17H,5-7,10H2,1-4H3
InChIKeyPMQOBENUAZFKFR-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-[2-(4-chloro-2,6-dimethylphenoxy)butyl]cyclopropanamine
CID 62451103
2-(3,5-dichlorophenoxy)-N-ethylbutan-1-amine
CID 62485923
2-(4-propan-2-ylphenoxy)-N-propylbutan-1-amine
CID 62453124
N-[2-(4-chloro-2,6-dimethylphenoxy)propyl]-2-methylpropan-1-amine
CID 63498348
2-(4-chloro-2-methylphenoxy)-N-(2-methylpropyl)butan-1-amine
CID 63498764
2-(4-chloro-2,6-dimethylphenoxy)-N-methylpropan-1-amine
CID 62450743
2-(2,5-dibromo-4-methoxyphenoxy)-N-propylbutan-1-amine
CID 79404261
2-(4-bromophenoxy)-N-propylbutan-1-amine
CID 62454410
2-(4-propoxyphenoxy)-N-propylbutan-1-amine
CID 55076769
N-[(4-butan-2-yloxy-3,5-dimethylphenyl)methyl]propan-1-amine
CID 43276756
2-methoxy-N-propylbutan-1-amine
CID 62446369
4-(4-chloro-2,6-dimethylphenoxy)-N-(2-methylpropyl)butan-1-amine
CID 55221312

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2,6-dimethylphenoxy)-N-propylbutan-1-amine?
The IUPAC name of 2-(4-chloro-2,6-dimethylphenoxy)-N-propylbutan-1-amine (CID 63498349) is 2-(4-chloro-2,6-dimethylphenoxy)-N-propylbutan-1-amine.
What is the SMILES notation for 2-(4-chloro-2,6-dimethylphenoxy)-N-propylbutan-1-amine?
The canonical SMILES for 2-(4-chloro-2,6-dimethylphenoxy)-N-propylbutan-1-amine is CCCNCC(CC)Oc1c(C)cc(Cl)cc1C.
What is the InChIKey of 2-(4-chloro-2,6-dimethylphenoxy)-N-propylbutan-1-amine?
The InChIKey is PMQOBENUAZFKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO/c1-5-7-17-10-14(6-2)18-15-11(3)8-13(16)9-12(15)4/h8-9,14,17H,5-7,10H2,1-4H3.
What are the key properties of 2-(4-chloro-2,6-dimethylphenoxy)-N-propylbutan-1-amine?
2-(4-chloro-2,6-dimethylphenoxy)-N-propylbutan-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 2-(4-chloro-2,6-dimethylphenoxy)-N-propylbutan-1-amine is sourced from PubChem (CID 63498349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).