5-methoxy-N-methyl-1-(4-propan-2-ylphenyl)hexan-2-amine

C17H29NO — CID 105137006

IUPAC5-methoxy-N-methyl-1-(4-propan-2-ylphenyl)hexan-2-amine
SMILESCNC(CCC(C)OC)Cc1ccc(C(C)C)cc1
InChIInChI=1S/C17H29NO/c1-13(2)16-9-7-15(8-10-16)12-17(18-4)11-6-14(3)19-5/h7-10,13-14,17-18H,6,11-12H2,1-5H3
InChIKeyDIXDMCZHCWWVRW-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.76
Rot. Bonds8

About 5-methoxy-N-methyl-1-(4-propan-2-ylphenyl)hexan-2-amine

5-methoxy-N-methyl-1-(4-propan-2-ylphenyl)hexan-2-amine (PubChem CID 105137006) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 5-methoxy-N-methyl-1-(4-propan-2-ylphenyl)hexan-2-amine.

Molecular Properties

Compound Name5-methoxy-N-methyl-1-(4-propan-2-ylphenyl)hexan-2-amine
PubChem CID105137006
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name5-methoxy-N-methyl-1-(4-propan-2-ylphenyl)hexan-2-amine
SMILESCNC(CCC(C)OC)Cc1ccc(C(C)C)cc1
InChIInChI=1S/C17H29NO/c1-13(2)16-9-7-15(8-10-16)12-17(18-4)11-6-14(3)19-5/h7-10,13-14,17-18H,6,11-12H2,1-5H3
InChIKeyDIXDMCZHCWWVRW-UHFFFAOYSA-N
XLogP3.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.76
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
1-(4-tert-butylphenyl)-5-methoxy-N-methylhexan-2-amine
CID 105136196
5-methoxy-N-methyl-1-(4-propan-2-ylphenyl)pentan-2-amine
CID 65092154
5-methoxy-N-methyl-1-[3-(trifluoromethyl)phenyl]hexan-2-amine
CID 105123547
N-methyl-4-(oxolan-2-yl)-1-(4-propan-2-ylphenyl)butan-2-amine
CID 115844160
6-methoxy-N-methyl-1-phenylheptan-3-amine
CID 105094085
1-(2-chloro-4-methylphenyl)-5-methoxy-N-methylhexan-2-amine
CID 106865944
1-(2-chloro-4-fluorophenyl)-5-methoxy-N-methylhexan-2-amine
CID 105133236
[1-methoxy-3-(4-propan-2-ylphenyl)propan-2-yl]hydrazine
CID 105207084
1-(2,3-difluorophenyl)-5-methoxy-N-methylhexan-2-amine
CID 105137730
4-methoxy-1-(4-propan-2-ylphenyl)-N-propylpentan-1-amine
CID 105144793
1-cyclopentylsulfanyl-N-methyl-3-(4-propan-2-ylphenyl)propan-2-amine
CID 65138833

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-methyl-1-(4-propan-2-ylphenyl)hexan-2-amine?
The IUPAC name of 5-methoxy-N-methyl-1-(4-propan-2-ylphenyl)hexan-2-amine (CID 105137006) is 5-methoxy-N-methyl-1-(4-propan-2-ylphenyl)hexan-2-amine.
What is the SMILES notation for 5-methoxy-N-methyl-1-(4-propan-2-ylphenyl)hexan-2-amine?
The canonical SMILES for 5-methoxy-N-methyl-1-(4-propan-2-ylphenyl)hexan-2-amine is CNC(CCC(C)OC)Cc1ccc(C(C)C)cc1.
What is the InChIKey of 5-methoxy-N-methyl-1-(4-propan-2-ylphenyl)hexan-2-amine?
The InChIKey is DIXDMCZHCWWVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-13(2)16-9-7-15(8-10-16)12-17(18-4)11-6-14(3)19-5/h7-10,13-14,17-18H,6,11-12H2,1-5H3.
What are the key properties of 5-methoxy-N-methyl-1-(4-propan-2-ylphenyl)hexan-2-amine?
5-methoxy-N-methyl-1-(4-propan-2-ylphenyl)hexan-2-amine has a molecular weight of 263.43 g/mol, XLogP of 3.76, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-methyl-1-(4-propan-2-ylphenyl)hexan-2-amine is sourced from PubChem (CID 105137006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).