1-(4-tert-butylphenyl)-5-methoxy-N-methylhexan-2-amine

C18H31NO — CID 105136196

IUPAC1-(4-tert-butylphenyl)-5-methoxy-N-methylhexan-2-amine
SMILESCNC(CCC(C)OC)Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H31NO/c1-14(20-6)7-12-17(19-5)13-15-8-10-16(11-9-15)18(2,3)4/h8-11,14,17,19H,7,12-13H2,1-6H3
InChIKeyMYFFLVMVBJPGFV-UHFFFAOYSA-N
MW277.45 g/mol
LogP3.93
Rot. Bonds7

About 1-(4-tert-butylphenyl)-5-methoxy-N-methylhexan-2-amine

1-(4-tert-butylphenyl)-5-methoxy-N-methylhexan-2-amine (PubChem CID 105136196) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-5-methoxy-N-methylhexan-2-amine.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-5-methoxy-N-methylhexan-2-amine
PubChem CID105136196
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name1-(4-tert-butylphenyl)-5-methoxy-N-methylhexan-2-amine
SMILESCNC(CCC(C)OC)Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H31NO/c1-14(20-6)7-12-17(19-5)13-15-8-10-16(11-9-15)18(2,3)4/h8-11,14,17,19H,7,12-13H2,1-6H3
InChIKeyMYFFLVMVBJPGFV-UHFFFAOYSA-N
XLogP3.93
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 ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromophenyl)-5-methoxy-N-methylhexan-2-amine
CID 105089113
5-methoxy-N-methyl-1-(4-propan-2-ylphenyl)hexan-2-amine
CID 105137006
1-(4-tert-butylphenyl)-N-methylhexan-2-amine
CID 79405338
5-methoxy-N-methyl-1-[3-(trifluoromethyl)phenyl]hexan-2-amine
CID 105123547
1-(4-tert-butylphenyl)-3-ethylsulfanyl-N-methylpropan-2-amine
CID 65127961
6-methoxy-N-methyl-1-phenylheptan-3-amine
CID 105094085
ethyl 4-(4-tert-butylphenyl)-3-(methylamino)butanoate
CID 82351798
5,5,5-trifluoro-N-methyl-1-[4-(trifluoromethyl)phenyl]pentan-2-amine
CID 79953449
[1-(4-tert-butylphenyl)-3-methoxypropan-2-yl]hydrazine
CID 105207262
1-(2,3-difluorophenyl)-5-methoxy-N-methylhexan-2-amine
CID 105137730
1-(2-chloro-4-methylphenyl)-5-methoxy-N-methylhexan-2-amine
CID 106865944
3-(4-tert-butylphenyl)-1-methoxy-2-methylpropan-1-ol
CID 142040255

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-5-methoxy-N-methylhexan-2-amine?
The IUPAC name of 1-(4-tert-butylphenyl)-5-methoxy-N-methylhexan-2-amine (CID 105136196) is 1-(4-tert-butylphenyl)-5-methoxy-N-methylhexan-2-amine.
What is the SMILES notation for 1-(4-tert-butylphenyl)-5-methoxy-N-methylhexan-2-amine?
The canonical SMILES for 1-(4-tert-butylphenyl)-5-methoxy-N-methylhexan-2-amine is CNC(CCC(C)OC)Cc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-5-methoxy-N-methylhexan-2-amine?
The InChIKey is MYFFLVMVBJPGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-14(20-6)7-12-17(19-5)13-15-8-10-16(11-9-15)18(2,3)4/h8-11,14,17,19H,7,12-13H2,1-6H3.
What are the key properties of 1-(4-tert-butylphenyl)-5-methoxy-N-methylhexan-2-amine?
1-(4-tert-butylphenyl)-5-methoxy-N-methylhexan-2-amine has a molecular weight of 277.45 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-5-methoxy-N-methylhexan-2-amine is sourced from PubChem (CID 105136196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).