N-ethyl-5-methoxy-5-methyl-2-(4-methylphenyl)hexan-1-amine

C17H29NO — CID 103036870

IUPACN-ethyl-5-methoxy-5-methyl-2-(4-methylphenyl)hexan-1-amine
SMILESCCNCC(CCC(C)(C)OC)c1ccc(C)cc1
InChIInChI=1S/C17H29NO/c1-6-18-13-16(11-12-17(3,4)19-5)15-9-7-14(2)8-10-15/h7-10,16,18H,6,11-13H2,1-5H3
InChIKeyBCKQKUHXQSNRGI-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.89
Rot. Bonds8

About N-ethyl-5-methoxy-5-methyl-2-(4-methylphenyl)hexan-1-amine

N-ethyl-5-methoxy-5-methyl-2-(4-methylphenyl)hexan-1-amine (PubChem CID 103036870) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is N-ethyl-5-methoxy-5-methyl-2-(4-methylphenyl)hexan-1-amine.

Molecular Properties

Compound NameN-ethyl-5-methoxy-5-methyl-2-(4-methylphenyl)hexan-1-amine
PubChem CID103036870
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC NameN-ethyl-5-methoxy-5-methyl-2-(4-methylphenyl)hexan-1-amine
SMILESCCNCC(CCC(C)(C)OC)c1ccc(C)cc1
InChIInChI=1S/C17H29NO/c1-6-18-13-16(11-12-17(3,4)19-5)15-9-7-14(2)8-10-15/h7-10,16,18H,6,11-13H2,1-5H3
InChIKeyBCKQKUHXQSNRGI-UHFFFAOYSA-N
XLogP3.89
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 ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[5-methoxy-5-methyl-2-(4-methylphenyl)hexyl]cyclopropanamine
CID 103036875
2-(4-chlorophenyl)-5-methoxy-5-methyl-N-(2-methylpropyl)hexan-1-amine
CID 103036902
N-ethyl-2-(4-methylphenyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 79436142
N-ethyl-2-(4-methylphenyl)-4-propan-2-ylsulfonylbutan-1-amine
CID 106730122
6-methoxy-6-methyl-N-(2-methylpropyl)-2-phenylheptan-1-amine
CID 103020013
4-methoxy-N-(2-methoxyethyl)-2-(4-methylphenyl)butan-1-amine
CID 79437143
N,4-diethyl-2-(4-methylphenyl)octan-1-amine
CID 79435832
N-ethyl-2-(4-methylphenyl)-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine
CID 79436580
2-(3-bromophenyl)-N-ethyl-5,5-dimethylhexan-1-amine
CID 79442599
3-(cyclopropylmethoxy)-N-ethyl-2-(4-methylphenyl)propan-1-amine
CID 106930862
N-ethyl-2-(4-fluorophenyl)-3-(4-methylphenyl)propan-1-amine
CID 79442006
N-ethyl-3-(4-fluorophenyl)-2-(4-methylphenyl)propan-1-amine
CID 79436688

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-methoxy-5-methyl-2-(4-methylphenyl)hexan-1-amine?
The IUPAC name of N-ethyl-5-methoxy-5-methyl-2-(4-methylphenyl)hexan-1-amine (CID 103036870) is N-ethyl-5-methoxy-5-methyl-2-(4-methylphenyl)hexan-1-amine.
What is the SMILES notation for N-ethyl-5-methoxy-5-methyl-2-(4-methylphenyl)hexan-1-amine?
The canonical SMILES for N-ethyl-5-methoxy-5-methyl-2-(4-methylphenyl)hexan-1-amine is CCNCC(CCC(C)(C)OC)c1ccc(C)cc1.
What is the InChIKey of N-ethyl-5-methoxy-5-methyl-2-(4-methylphenyl)hexan-1-amine?
The InChIKey is BCKQKUHXQSNRGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-6-18-13-16(11-12-17(3,4)19-5)15-9-7-14(2)8-10-15/h7-10,16,18H,6,11-13H2,1-5H3.
What are the key properties of N-ethyl-5-methoxy-5-methyl-2-(4-methylphenyl)hexan-1-amine?
N-ethyl-5-methoxy-5-methyl-2-(4-methylphenyl)hexan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 3.89, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-methoxy-5-methyl-2-(4-methylphenyl)hexan-1-amine is sourced from PubChem (CID 103036870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).