1-(4-butan-2-yl-2,6-dimethylphenoxy)propan-1-amine

C15H25NO — CID 145179772

IUPAC1-(4-butan-2-yl-2,6-dimethylphenoxy)propan-1-amine
SMILESCCC(N)Oc1c(C)cc(C(C)CC)cc1C
InChIInChI=1S/C15H25NO/c1-6-10(3)13-8-11(4)15(12(5)9-13)17-14(16)7-2/h8-10,14H,6-7,16H2,1-5H3
InChIKeyYAMCKDPVKSOEJZ-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.89
Rot. Bonds5

About 1-(4-butan-2-yl-2,6-dimethylphenoxy)propan-1-amine

1-(4-butan-2-yl-2,6-dimethylphenoxy)propan-1-amine (PubChem CID 145179772) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 1-(4-butan-2-yl-2,6-dimethylphenoxy)propan-1-amine.

Molecular Properties

Compound Name1-(4-butan-2-yl-2,6-dimethylphenoxy)propan-1-amine
PubChem CID145179772
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name1-(4-butan-2-yl-2,6-dimethylphenoxy)propan-1-amine
SMILESCCC(N)Oc1c(C)cc(C(C)CC)cc1C
InChIInChI=1S/C15H25NO/c1-6-10(3)13-8-11(4)15(12(5)9-13)17-14(16)7-2/h8-10,14H,6-7,16H2,1-5H3
InChIKeyYAMCKDPVKSOEJZ-UHFFFAOYSA-N
XLogP3.89
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

5-butan-2-yl-3-methylbenzene-1,2-diamine
CID 163588283
5-butan-2-yl-1,2-dimethyl-3-propan-2-ylbenzene
CID 168837309
1-[(2R)-butan-2-yl]-3,5-dimethylbenzene
CID 145157940
(4-butan-2-ylphenyl)-(3,4-dimethylphenyl)methanamine
CID 43108648
2-(3,4-dimethoxy-5-methylphenyl)propan-1-amine
CID 117299386
4-butan-2-yl-2,6-di(propan-2-yl)aniline
CID 58701369
(1R)-1-(4-methoxy-3,5-dimethylphenyl)propan-1-amine;hydrochloride
CID 171211620
1-(2,5-dimethylphenoxy)propan-1-amine
CID 70392108
2-(4-methoxy-3,5-dimethylphenyl)-N-methylpropan-1-amine
CID 83833912
1,4-di(butan-2-yl)-2-methylbenzene
CID 58616694
2-[4-(2-aminobutyl)-2,6-dimethylphenoxy]propanamide
CID 54930392
3-(4-methoxy-3-methyl-5-propan-2-ylphenyl)butan-1-amine
CID 117343733

Frequently Asked Questions

What is the IUPAC name of 1-(4-butan-2-yl-2,6-dimethylphenoxy)propan-1-amine?
The IUPAC name of 1-(4-butan-2-yl-2,6-dimethylphenoxy)propan-1-amine (CID 145179772) is 1-(4-butan-2-yl-2,6-dimethylphenoxy)propan-1-amine.
What is the SMILES notation for 1-(4-butan-2-yl-2,6-dimethylphenoxy)propan-1-amine?
The canonical SMILES for 1-(4-butan-2-yl-2,6-dimethylphenoxy)propan-1-amine is CCC(N)Oc1c(C)cc(C(C)CC)cc1C.
What is the InChIKey of 1-(4-butan-2-yl-2,6-dimethylphenoxy)propan-1-amine?
The InChIKey is YAMCKDPVKSOEJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-6-10(3)13-8-11(4)15(12(5)9-13)17-14(16)7-2/h8-10,14H,6-7,16H2,1-5H3.
What are the key properties of 1-(4-butan-2-yl-2,6-dimethylphenoxy)propan-1-amine?
1-(4-butan-2-yl-2,6-dimethylphenoxy)propan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butan-2-yl-2,6-dimethylphenoxy)propan-1-amine is sourced from PubChem (CID 145179772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).