N-ethyl-1-(2-methoxy-4,6-dimethylphenyl)heptan-1-amine

C18H31NO — CID 106682491

IUPACN-ethyl-1-(2-methoxy-4,6-dimethylphenyl)heptan-1-amine
SMILESCCCCCCC(NCC)c1c(C)cc(C)cc1OC
InChIInChI=1S/C18H31NO/c1-6-8-9-10-11-16(19-7-2)18-15(4)12-14(3)13-17(18)20-5/h12-13,16,19H,6-11H2,1-5H3
InChIKeyADFMNKFUFJUPSN-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.93
Rot. Bonds9

About N-ethyl-1-(2-methoxy-4,6-dimethylphenyl)heptan-1-amine

N-ethyl-1-(2-methoxy-4,6-dimethylphenyl)heptan-1-amine (PubChem CID 106682491) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is N-ethyl-1-(2-methoxy-4,6-dimethylphenyl)heptan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(2-methoxy-4,6-dimethylphenyl)heptan-1-amine
PubChem CID106682491
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC NameN-ethyl-1-(2-methoxy-4,6-dimethylphenyl)heptan-1-amine
SMILESCCCCCCC(NCC)c1c(C)cc(C)cc1OC
InChIInChI=1S/C18H31NO/c1-6-8-9-10-11-16(19-7-2)18-15(4)12-14(3)13-17(18)20-5/h12-13,16,19H,6-11H2,1-5H3
InChIKeyADFMNKFUFJUPSN-UHFFFAOYSA-N
XLogP4.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.93
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-ethyl-1-(2,4,6-trimethylphenyl)hexan-1-amine
CID 43491113
4-ethoxy-1-(2-methoxy-4,6-dimethylphenyl)-N-propylbutan-1-amine
CID 106682449
N-ethyl-1-(2-methoxy-4,6-dimethylphenyl)ethanamine
CID 106680438
2-tert-butylsulfanyl-N-ethyl-1-(2-methoxy-4,6-dimethylphenyl)ethanamine
CID 106680622
1-(5-bromo-2-methoxy-4-methylphenyl)-N-ethylheptan-1-amine
CID 114752580
(1R)-1-(2,6-dimethoxy-4-methylphenyl)hexan-1-amine
CID 171215923
N-ethyl-1-(2,3,5,6-tetramethylphenyl)hexan-1-amine
CID 43490948
1-(2,6-dimethoxyphenyl)-N-ethylpentan-1-amine
CID 116810587
1-(2,6-dimethylphenyl)-N-ethylhexan-1-amine
CID 114027005
N-ethyl-2-(1-methoxycyclobutyl)-1-(2-methoxy-4,6-dimethylphenyl)ethanamine
CID 106682517
2-(1-bromononyl)-1,3,5-trimethylbenzene
CID 65428123
1-(2-bromo-4,5-dimethoxyphenyl)-N-ethylhexan-1-amine
CID 43491693

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-methoxy-4,6-dimethylphenyl)heptan-1-amine?
The IUPAC name of N-ethyl-1-(2-methoxy-4,6-dimethylphenyl)heptan-1-amine (CID 106682491) is N-ethyl-1-(2-methoxy-4,6-dimethylphenyl)heptan-1-amine.
What is the SMILES notation for N-ethyl-1-(2-methoxy-4,6-dimethylphenyl)heptan-1-amine?
The canonical SMILES for N-ethyl-1-(2-methoxy-4,6-dimethylphenyl)heptan-1-amine is CCCCCCC(NCC)c1c(C)cc(C)cc1OC.
What is the InChIKey of N-ethyl-1-(2-methoxy-4,6-dimethylphenyl)heptan-1-amine?
The InChIKey is ADFMNKFUFJUPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-6-8-9-10-11-16(19-7-2)18-15(4)12-14(3)13-17(18)20-5/h12-13,16,19H,6-11H2,1-5H3.
What are the key properties of N-ethyl-1-(2-methoxy-4,6-dimethylphenyl)heptan-1-amine?
N-ethyl-1-(2-methoxy-4,6-dimethylphenyl)heptan-1-amine has a molecular weight of 277.45 g/mol, XLogP of 4.93, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-methoxy-4,6-dimethylphenyl)heptan-1-amine is sourced from PubChem (CID 106682491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).