4-(3,5-dimethylphenoxy)-N-methylpentan-1-amine

C14H23NO — CID 62453415

IUPAC4-(3,5-dimethylphenoxy)-N-methylpentan-1-amine
SMILESCNCCCC(C)Oc1cc(C)cc(C)c1
InChIInChI=1S/C14H23NO/c1-11-8-12(2)10-14(9-11)16-13(3)6-5-7-15-4/h8-10,13,15H,5-7H2,1-4H3
InChIKeyNAUWZBBQUWRPCA-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.07
Rot. Bonds6

About 4-(3,5-dimethylphenoxy)-N-methylpentan-1-amine

4-(3,5-dimethylphenoxy)-N-methylpentan-1-amine (PubChem CID 62453415) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 4-(3,5-dimethylphenoxy)-N-methylpentan-1-amine.

Molecular Properties

Compound Name4-(3,5-dimethylphenoxy)-N-methylpentan-1-amine
PubChem CID62453415
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name4-(3,5-dimethylphenoxy)-N-methylpentan-1-amine
SMILESCNCCCC(C)Oc1cc(C)cc(C)c1
InChIInChI=1S/C14H23NO/c1-11-8-12(2)10-14(9-11)16-13(3)6-5-7-15-4/h8-10,13,15H,5-7H2,1-4H3
InChIKeyNAUWZBBQUWRPCA-UHFFFAOYSA-N
XLogP3.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.07
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-(3,5-dimethylphenoxy)propyl]-3-methylbutan-1-amine
CID 62571370
2-(3,5-dimethylphenoxy)propylhydrazine
CID 82281841
4-(2,3-dihydro-1H-inden-5-yloxy)-N-methylpentan-1-amine
CID 62460723
3-(3,5-dimethylphenoxy)-N-methylpropan-1-amine
CID 23010528
4-(3-methylphenoxy)-N-propan-2-ylpentan-1-amine
CID 62452888
N-methyl-4-quinolin-3-yloxypentan-1-amine
CID 107387882
N-[4-(4-chloro-3,5-dimethylphenoxy)pentyl]cyclopropanamine
CID 62486274
4-(3,5-dimethylphenoxy)-N-propylpentan-2-amine
CID 64708090
N-methyl-4-[(1-methyl-1,2,4-triazol-3-yl)oxy]pentan-1-amine
CID 106598130
1-hexan-2-yloxy-3-methylbenzene
CID 58153502
N-tert-butyl-4-(3-fluoro-4-methylphenoxy)pentan-1-amine
CID 107170796
N'-methyl-1-(4-propan-2-yloxyphenyl)butane-1,4-diamine
CID 116933874

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylphenoxy)-N-methylpentan-1-amine?
The IUPAC name of 4-(3,5-dimethylphenoxy)-N-methylpentan-1-amine (CID 62453415) is 4-(3,5-dimethylphenoxy)-N-methylpentan-1-amine.
What is the SMILES notation for 4-(3,5-dimethylphenoxy)-N-methylpentan-1-amine?
The canonical SMILES for 4-(3,5-dimethylphenoxy)-N-methylpentan-1-amine is CNCCCC(C)Oc1cc(C)cc(C)c1.
What is the InChIKey of 4-(3,5-dimethylphenoxy)-N-methylpentan-1-amine?
The InChIKey is NAUWZBBQUWRPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-11-8-12(2)10-14(9-11)16-13(3)6-5-7-15-4/h8-10,13,15H,5-7H2,1-4H3.
What are the key properties of 4-(3,5-dimethylphenoxy)-N-methylpentan-1-amine?
4-(3,5-dimethylphenoxy)-N-methylpentan-1-amine has a molecular weight of 221.34 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylphenoxy)-N-methylpentan-1-amine is sourced from PubChem (CID 62453415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).