6-(4-tert-butyl-2-methylphenoxy)-N-methylhexan-2-amine

C18H31NO — CID 63500535

IUPAC6-(4-tert-butyl-2-methylphenoxy)-N-methylhexan-2-amine
SMILESCNC(C)CCCCOc1ccc(C(C)(C)C)cc1C
InChIInChI=1S/C18H31NO/c1-14-13-16(18(3,4)5)10-11-17(14)20-12-8-7-9-15(2)19-6/h10-11,13,15,19H,7-9,12H2,1-6H3
InChIKeyLGMOFSJJJHBNMB-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.45
Rot. Bonds7

About 6-(4-tert-butyl-2-methylphenoxy)-N-methylhexan-2-amine

6-(4-tert-butyl-2-methylphenoxy)-N-methylhexan-2-amine (PubChem CID 63500535) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 6-(4-tert-butyl-2-methylphenoxy)-N-methylhexan-2-amine.

Molecular Properties

Compound Name6-(4-tert-butyl-2-methylphenoxy)-N-methylhexan-2-amine
PubChem CID63500535
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name6-(4-tert-butyl-2-methylphenoxy)-N-methylhexan-2-amine
SMILESCNC(C)CCCCOc1ccc(C(C)(C)C)cc1C
InChIInChI=1S/C18H31NO/c1-14-13-16(18(3,4)5)10-11-17(14)20-12-8-7-9-15(2)19-6/h10-11,13,15,19H,7-9,12H2,1-6H3
InChIKeyLGMOFSJJJHBNMB-UHFFFAOYSA-N
XLogP4.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.45
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-[(2S)-butan-2-yl]-4-(4-tert-butyl-2-methylphenoxy)butan-1-amine
CID 2181390
4-(4-tert-butyl-2-methylphenoxy)butyl-propan-2-ylazanium
CID 2296459
4-tert-butyl-1-(5-chloropentoxy)-2-methylbenzene
CID 43351908
N-[3-(4-tert-butyl-2-methylphenoxy)propyl]-3-methoxypropan-1-amine
CID 2297128
2-azaniumylethyl-[4-(4-tert-butyl-2-methylphenoxy)butyl]azanium
CID 2299424
4-tert-butyl-1-but-3-ynoxy-2-methylbenzene
CID 55248880
4-tert-butyl-1-[2-(2-chloroethoxy)ethoxy]-2-methylbenzene
CID 63664014
1-(5-tert-butyl-2-methoxyphenyl)-N-methylpropan-2-amine
CID 82262287
butyl-[2-(4-tert-butyl-2-methylphenoxy)ethyl]azanium
CID 2580791
4-(4-tert-butyl-2-methylphenoxy)-N-(2-methoxyethyl)butan-1-amine;oxalic acid
CID 2923242
3-(4-tert-butyl-2-methylphenoxy)-2-methylpropanenitrile
CID 43367500
2-[2-(4-tert-butyl-2-methylphenoxy)ethoxy]-N,N-dimethylethanamine
CID 2181239

Frequently Asked Questions

What is the IUPAC name of 6-(4-tert-butyl-2-methylphenoxy)-N-methylhexan-2-amine?
The IUPAC name of 6-(4-tert-butyl-2-methylphenoxy)-N-methylhexan-2-amine (CID 63500535) is 6-(4-tert-butyl-2-methylphenoxy)-N-methylhexan-2-amine.
What is the SMILES notation for 6-(4-tert-butyl-2-methylphenoxy)-N-methylhexan-2-amine?
The canonical SMILES for 6-(4-tert-butyl-2-methylphenoxy)-N-methylhexan-2-amine is CNC(C)CCCCOc1ccc(C(C)(C)C)cc1C.
What is the InChIKey of 6-(4-tert-butyl-2-methylphenoxy)-N-methylhexan-2-amine?
The InChIKey is LGMOFSJJJHBNMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-14-13-16(18(3,4)5)10-11-17(14)20-12-8-7-9-15(2)19-6/h10-11,13,15,19H,7-9,12H2,1-6H3.
What are the key properties of 6-(4-tert-butyl-2-methylphenoxy)-N-methylhexan-2-amine?
6-(4-tert-butyl-2-methylphenoxy)-N-methylhexan-2-amine has a molecular weight of 277.45 g/mol, XLogP of 4.45, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-tert-butyl-2-methylphenoxy)-N-methylhexan-2-amine is sourced from PubChem (CID 63500535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).