N-ethyl-1-(2-methoxyphenyl)-4,6,6-trimethylheptan-2-amine

C19H33NO — CID 115813662

IUPACN-ethyl-1-(2-methoxyphenyl)-4,6,6-trimethylheptan-2-amine
SMILESCCNC(Cc1ccccc1OC)CC(C)CC(C)(C)C
InChIInChI=1S/C19H33NO/c1-7-20-17(12-15(2)14-19(3,4)5)13-16-10-8-9-11-18(16)21-6/h8-11,15,17,20H,7,12-14H2,1-6H3
InChIKeySZJNVWIGQZPECC-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.68
Rot. Bonds8

About N-ethyl-1-(2-methoxyphenyl)-4,6,6-trimethylheptan-2-amine

N-ethyl-1-(2-methoxyphenyl)-4,6,6-trimethylheptan-2-amine (PubChem CID 115813662) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is N-ethyl-1-(2-methoxyphenyl)-4,6,6-trimethylheptan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(2-methoxyphenyl)-4,6,6-trimethylheptan-2-amine
PubChem CID115813662
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC NameN-ethyl-1-(2-methoxyphenyl)-4,6,6-trimethylheptan-2-amine
SMILESCCNC(Cc1ccccc1OC)CC(C)CC(C)(C)C
InChIInChI=1S/C19H33NO/c1-7-20-17(12-15(2)14-19(3,4)5)13-16-10-8-9-11-18(16)21-6/h8-11,15,17,20H,7,12-14H2,1-6H3
InChIKeySZJNVWIGQZPECC-UHFFFAOYSA-N
XLogP4.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(2-methoxyphenyl)-3-phenylpropan-2-amine
CID 61263100
1-(2-methoxyphenyl)-4,5,5-trimethyl-N-propylhexan-2-amine
CID 63833464
[1-(2-methoxyphenyl)-4-methylheptan-2-yl]hydrazine
CID 105205005
4-ethyl-1-(2-methoxyphenyl)-N-propylhexan-2-amine
CID 82922595
1-(2-methoxyphenyl)-4,4-dimethylpentan-2-ol
CID 63018076
2-N-ethyl-4-N-[1-(2-methoxyphenyl)propan-2-yl]-4-N-methylpentane-2,4-diamine
CID 65487789
N-ethyl-3-methoxy-1-(2-methoxyphenyl)-4,4-dimethylpentan-2-amine
CID 116724723
[1-(5-chloro-2-methoxyphenyl)-4,6,6-trimethylheptan-2-yl]hydrazine
CID 105297547
1-(2-methoxyphenyl)-N,4-dimethylpentan-2-amine
CID 61066103
1-(2-methoxyphenyl)-N,5,5-trimethylhexan-2-amine
CID 62601026
1-(2-methoxyphenyl)-3-phenyl-N-propylpropan-2-amine
CID 61263835
[1-(2-methoxyphenyl)-5,5-dimethylhexan-2-yl]hydrazine
CID 105205034

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-methoxyphenyl)-4,6,6-trimethylheptan-2-amine?
The IUPAC name of N-ethyl-1-(2-methoxyphenyl)-4,6,6-trimethylheptan-2-amine (CID 115813662) is N-ethyl-1-(2-methoxyphenyl)-4,6,6-trimethylheptan-2-amine.
What is the SMILES notation for N-ethyl-1-(2-methoxyphenyl)-4,6,6-trimethylheptan-2-amine?
The canonical SMILES for N-ethyl-1-(2-methoxyphenyl)-4,6,6-trimethylheptan-2-amine is CCNC(Cc1ccccc1OC)CC(C)CC(C)(C)C.
What is the InChIKey of N-ethyl-1-(2-methoxyphenyl)-4,6,6-trimethylheptan-2-amine?
The InChIKey is SZJNVWIGQZPECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO/c1-7-20-17(12-15(2)14-19(3,4)5)13-16-10-8-9-11-18(16)21-6/h8-11,15,17,20H,7,12-14H2,1-6H3.
What are the key properties of N-ethyl-1-(2-methoxyphenyl)-4,6,6-trimethylheptan-2-amine?
N-ethyl-1-(2-methoxyphenyl)-4,6,6-trimethylheptan-2-amine has a molecular weight of 291.48 g/mol, XLogP of 4.68, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-methoxyphenyl)-4,6,6-trimethylheptan-2-amine is sourced from PubChem (CID 115813662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).