5-(2,5-dimethylphenoxy)-2,2-dimethylpentan-1-amine

C15H25NO — CID 54855402

IUPAC5-(2,5-dimethylphenoxy)-2,2-dimethylpentan-1-amine
SMILESCc1ccc(C)c(OCCCC(C)(C)CN)c1
InChIInChI=1S/C15H25NO/c1-12-6-7-13(2)14(10-12)17-9-5-8-15(3,4)11-16/h6-7,10H,5,8-9,11,16H2,1-4H3
InChIKeyLQLCKYSMYZQRSG-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.45
Rot. Bonds6

About 5-(2,5-dimethylphenoxy)-2,2-dimethylpentan-1-amine

5-(2,5-dimethylphenoxy)-2,2-dimethylpentan-1-amine (PubChem CID 54855402) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 5-(2,5-dimethylphenoxy)-2,2-dimethylpentan-1-amine.

Molecular Properties

Compound Name5-(2,5-dimethylphenoxy)-2,2-dimethylpentan-1-amine
PubChem CID54855402
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name5-(2,5-dimethylphenoxy)-2,2-dimethylpentan-1-amine
SMILESCc1ccc(C)c(OCCCC(C)(C)CN)c1
InChIInChI=1S/C15H25NO/c1-12-6-7-13(2)14(10-12)17-9-5-8-15(3,4)11-16/h6-7,10H,5,8-9,11,16H2,1-4H3
InChIKeyLQLCKYSMYZQRSG-UHFFFAOYSA-N
XLogP3.45
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.45
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-(2,5-dimethylphenoxy)ethyl]-N',2,2-trimethylpropane-1,3-diamine
CID 79653205
2-(5,5-dimethoxy-4,4-dimethylpentoxy)-1,4-dimethylbenzene
CID 69082461
2-[5-(4-methoxyphenyl)-4,4-dimethylpentoxy]-1,4-dimethylbenzene
CID 178183376
5-(4-chloro-2-methylphenoxy)-2,2-dimethylpentan-1-amine
CID 65255914
N-[5-(2,5-dimethylphenoxy)-2,2-dimethylpentyl]hexadecan-1-amine
CID 54855433
(2,5-dimethylphenoxy)methanamine
CID 89376053
sodium;5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoic acid;hydride
CID 173009199
4-butoxy-N-[5-(2,5-dimethylphenoxy)-2,2-dimethylpentyl]aniline
CID 54855693
N-[5-(2,5-dimethylphenoxy)-2,2-dimethylpentyl]-4-ethoxyaniline
CID 54855614
1,4-dimethyl-2-pentoxybenzene
CID 59184214
2-butoxy-N-[5-(2,5-dimethylphenoxy)-2,2-dimethylpentyl]aniline
CID 54855832
3-chloro-N-[5-(2,5-dimethylphenoxy)-2,2-dimethylpentyl]-4-methoxyaniline
CID 54855580

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethylphenoxy)-2,2-dimethylpentan-1-amine?
The IUPAC name of 5-(2,5-dimethylphenoxy)-2,2-dimethylpentan-1-amine (CID 54855402) is 5-(2,5-dimethylphenoxy)-2,2-dimethylpentan-1-amine.
What is the SMILES notation for 5-(2,5-dimethylphenoxy)-2,2-dimethylpentan-1-amine?
The canonical SMILES for 5-(2,5-dimethylphenoxy)-2,2-dimethylpentan-1-amine is Cc1ccc(C)c(OCCCC(C)(C)CN)c1.
What is the InChIKey of 5-(2,5-dimethylphenoxy)-2,2-dimethylpentan-1-amine?
The InChIKey is LQLCKYSMYZQRSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-12-6-7-13(2)14(10-12)17-9-5-8-15(3,4)11-16/h6-7,10H,5,8-9,11,16H2,1-4H3.
What are the key properties of 5-(2,5-dimethylphenoxy)-2,2-dimethylpentan-1-amine?
5-(2,5-dimethylphenoxy)-2,2-dimethylpentan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethylphenoxy)-2,2-dimethylpentan-1-amine is sourced from PubChem (CID 54855402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).