5-methyl-N-[2-(3-methyl-5-propan-2-ylphenoxy)ethyl]hexan-2-amine

C19H33NO — CID 63515560

IUPAC5-methyl-N-[2-(3-methyl-5-propan-2-ylphenoxy)ethyl]hexan-2-amine
SMILESCc1cc(OCCNC(C)CCC(C)C)cc(C(C)C)c1
InChIInChI=1S/C19H33NO/c1-14(2)7-8-17(6)20-9-10-21-19-12-16(5)11-18(13-19)15(3)4/h11-15,17,20H,7-10H2,1-6H3
InChIKeyXFXHAXOGWCFPFX-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.91
Rot. Bonds9

About 5-methyl-N-[2-(3-methyl-5-propan-2-ylphenoxy)ethyl]hexan-2-amine

5-methyl-N-[2-(3-methyl-5-propan-2-ylphenoxy)ethyl]hexan-2-amine (PubChem CID 63515560) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is 5-methyl-N-[2-(3-methyl-5-propan-2-ylphenoxy)ethyl]hexan-2-amine.

Molecular Properties

Compound Name5-methyl-N-[2-(3-methyl-5-propan-2-ylphenoxy)ethyl]hexan-2-amine
PubChem CID63515560
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC Name5-methyl-N-[2-(3-methyl-5-propan-2-ylphenoxy)ethyl]hexan-2-amine
SMILESCc1cc(OCCNC(C)CCC(C)C)cc(C(C)C)c1
InChIInChI=1S/C19H33NO/c1-14(2)7-8-17(6)20-9-10-21-19-12-16(5)11-18(13-19)15(3)4/h11-15,17,20H,7-10H2,1-6H3
InChIKeyXFXHAXOGWCFPFX-UHFFFAOYSA-N
XLogP4.91
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.91
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-(3-methyl-5-propan-2-ylphenoxy)ethyl]propan-2-amine
CID 62597906
N-[3-(3-methyl-5-propan-2-ylphenoxy)propyl]butan-1-amine
CID 2296857
3,3-dimethyl-N-[2-(3-methyl-5-propan-2-ylphenoxy)ethyl]butan-1-amine
CID 63515562
2-methyl-N-[2-(3-methyl-5-propan-2-ylphenoxy)ethyl]butan-2-amine
CID 63515727
1-[3-(3-methyl-5-propan-2-ylphenoxy)propylamino]propan-2-ol
CID 2978151
(2S)-1-[3-(3-methyl-5-propan-2-ylphenoxy)propylamino]propan-2-ol
CID 7375831
5-methyl-N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]hexan-2-amine
CID 63504935
N-[2-(3,4-difluorophenoxy)ethyl]-5-methylhexan-2-amine
CID 62599636
5-methyl-N-[2-(4-methylsulfanylphenoxy)ethyl]hexan-2-amine
CID 55245786
N-[2-(3,5-dimethylphenoxy)ethyl]-4-(3-methylbutoxy)aniline
CID 54799350
5-methyl-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]hexan-2-amine
CID 63517229
N-[2-(4-bromo-2-chloro-6-methylphenoxy)ethyl]-5-methylhexan-2-amine
CID 63515570

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-(3-methyl-5-propan-2-ylphenoxy)ethyl]hexan-2-amine?
The IUPAC name of 5-methyl-N-[2-(3-methyl-5-propan-2-ylphenoxy)ethyl]hexan-2-amine (CID 63515560) is 5-methyl-N-[2-(3-methyl-5-propan-2-ylphenoxy)ethyl]hexan-2-amine.
What is the SMILES notation for 5-methyl-N-[2-(3-methyl-5-propan-2-ylphenoxy)ethyl]hexan-2-amine?
The canonical SMILES for 5-methyl-N-[2-(3-methyl-5-propan-2-ylphenoxy)ethyl]hexan-2-amine is Cc1cc(OCCNC(C)CCC(C)C)cc(C(C)C)c1.
What is the InChIKey of 5-methyl-N-[2-(3-methyl-5-propan-2-ylphenoxy)ethyl]hexan-2-amine?
The InChIKey is XFXHAXOGWCFPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO/c1-14(2)7-8-17(6)20-9-10-21-19-12-16(5)11-18(13-19)15(3)4/h11-15,17,20H,7-10H2,1-6H3.
What are the key properties of 5-methyl-N-[2-(3-methyl-5-propan-2-ylphenoxy)ethyl]hexan-2-amine?
5-methyl-N-[2-(3-methyl-5-propan-2-ylphenoxy)ethyl]hexan-2-amine has a molecular weight of 291.48 g/mol, XLogP of 4.91, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-(3-methyl-5-propan-2-ylphenoxy)ethyl]hexan-2-amine is sourced from PubChem (CID 63515560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).