2-methyl-N-[2-(3-methylphenoxy)ethyl]pentan-3-amine

C15H25NO — CID 55013093

IUPAC2-methyl-N-[2-(3-methylphenoxy)ethyl]pentan-3-amine
SMILESCCC(NCCOc1cccc(C)c1)C(C)C
InChIInChI=1S/C15H25NO/c1-5-15(12(2)3)16-9-10-17-14-8-6-7-13(4)11-14/h6-8,11-12,15-16H,5,9-10H2,1-4H3
InChIKeyIDVZWZKXOYMYOB-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.40
Rot. Bonds7

About 2-methyl-N-[2-(3-methylphenoxy)ethyl]pentan-3-amine

2-methyl-N-[2-(3-methylphenoxy)ethyl]pentan-3-amine (PubChem CID 55013093) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-methyl-N-[2-(3-methylphenoxy)ethyl]pentan-3-amine.

Molecular Properties

Compound Name2-methyl-N-[2-(3-methylphenoxy)ethyl]pentan-3-amine
PubChem CID55013093
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name2-methyl-N-[2-(3-methylphenoxy)ethyl]pentan-3-amine
SMILESCCC(NCCOc1cccc(C)c1)C(C)C
InChIInChI=1S/C15H25NO/c1-5-15(12(2)3)16-9-10-17-14-8-6-7-13(4)11-14/h6-8,11-12,15-16H,5,9-10H2,1-4H3
InChIKeyIDVZWZKXOYMYOB-UHFFFAOYSA-N
XLogP3.40
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.40
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

2-methyl-N-(2-pyridin-3-yloxyethyl)pentan-3-amine
CID 115720180
1-cyclopropyl-N-[2-(3-methylphenoxy)ethyl]ethanamine
CID 60696154
4-methyl-1-(3-methylphenoxy)-N-propylheptan-3-amine
CID 107893363
1-(2,4-dimethylphenyl)-N-[2-(3-methylphenoxy)ethyl]ethanamine
CID 63455557
1-(3-bromophenyl)-N-[2-(3-methylphenoxy)ethyl]propan-1-amine
CID 63455209
N,4-diethyl-1-(3-methylphenoxy)hexan-3-amine
CID 105168560
2-methyl-3-[2-(3-methylphenoxy)ethylamino]butanoic acid
CID 79392076
6-methoxy-4-methyl-1-(3-methylphenoxy)-N-propylhexan-3-amine
CID 105185190
N-[2-(3-methylphenoxy)ethyl]-2-(propan-2-ylamino)acetamide
CID 54940324
N-[2-(3-methylphenoxy)ethyl]-1-(5-methylthiophen-2-yl)ethanamine
CID 55012623
2-methyl-N-[(3-methylphenyl)methyl]pentan-3-amine
CID 43768749
1-(3,4-difluorophenyl)-N-[2-(3-methylphenoxy)ethyl]ethanamine
CID 60694256

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(3-methylphenoxy)ethyl]pentan-3-amine?
The IUPAC name of 2-methyl-N-[2-(3-methylphenoxy)ethyl]pentan-3-amine (CID 55013093) is 2-methyl-N-[2-(3-methylphenoxy)ethyl]pentan-3-amine.
What is the SMILES notation for 2-methyl-N-[2-(3-methylphenoxy)ethyl]pentan-3-amine?
The canonical SMILES for 2-methyl-N-[2-(3-methylphenoxy)ethyl]pentan-3-amine is CCC(NCCOc1cccc(C)c1)C(C)C.
What is the InChIKey of 2-methyl-N-[2-(3-methylphenoxy)ethyl]pentan-3-amine?
The InChIKey is IDVZWZKXOYMYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-5-15(12(2)3)16-9-10-17-14-8-6-7-13(4)11-14/h6-8,11-12,15-16H,5,9-10H2,1-4H3.
What are the key properties of 2-methyl-N-[2-(3-methylphenoxy)ethyl]pentan-3-amine?
2-methyl-N-[2-(3-methylphenoxy)ethyl]pentan-3-amine has a molecular weight of 235.37 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(3-methylphenoxy)ethyl]pentan-3-amine is sourced from PubChem (CID 55013093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).