N-ethyl-2-(3-methoxy-4-methylphenyl)-3-methylhexan-1-amine

C17H29NO — CID 107887070

IUPACN-ethyl-2-(3-methoxy-4-methylphenyl)-3-methylhexan-1-amine
SMILESCCCC(C)C(CNCC)c1ccc(C)c(OC)c1
InChIInChI=1S/C17H29NO/c1-6-8-13(3)16(12-18-7-2)15-10-9-14(4)17(11-15)19-5/h9-11,13,16,18H,6-8,12H2,1-5H3
InChIKeyRKMFXUUHKDRKCP-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.13
Rot. Bonds8

About N-ethyl-2-(3-methoxy-4-methylphenyl)-3-methylhexan-1-amine

N-ethyl-2-(3-methoxy-4-methylphenyl)-3-methylhexan-1-amine (PubChem CID 107887070) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is N-ethyl-2-(3-methoxy-4-methylphenyl)-3-methylhexan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-(3-methoxy-4-methylphenyl)-3-methylhexan-1-amine
PubChem CID107887070
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC NameN-ethyl-2-(3-methoxy-4-methylphenyl)-3-methylhexan-1-amine
SMILESCCCC(C)C(CNCC)c1ccc(C)c(OC)c1
InChIInChI=1S/C17H29NO/c1-6-8-13(3)16(12-18-7-2)15-10-9-14(4)17(11-15)19-5/h9-11,13,16,18H,6-8,12H2,1-5H3
InChIKeyRKMFXUUHKDRKCP-UHFFFAOYSA-N
XLogP4.13
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 ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methoxy-4-methylphenyl)-3-methyl-N-propylhexan-1-amine
CID 107887072
2-(3-methoxy-4-methylphenyl)-3-methyl-N-(2-methylpropyl)hexan-1-amine
CID 107887077
2-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)-3-methylpentan-1-amine
CID 79445775
2-(3,4-dimethylphenyl)-N,3-dimethylpentan-1-amine
CID 79445431
(1R)-1-(3-methoxy-4-methylphenyl)-2-methylbutan-1-amine;hydrochloride
CID 171205480
N-ethyl-1-(3-methoxy-4-methylphenyl)-3-methylbutan-1-amine
CID 115782382
N-ethyl-3-methyl-2-phenylpentan-1-amine
CID 43163708
3-(3-methoxy-4-methylphenyl)butan-1-ol
CID 72978410
4-(1-chloro-2-methylpentyl)-1-methoxy-2-methylbenzene
CID 63434238
1-(3-methoxy-4-methylphenyl)decan-1-amine
CID 115831533
1-(3-methoxy-4-methylphenyl)-N-methylheptan-1-amine
CID 115833459
2-(3-methoxy-4-methylphenyl)butan-1-ol
CID 139504441

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3-methoxy-4-methylphenyl)-3-methylhexan-1-amine?
The IUPAC name of N-ethyl-2-(3-methoxy-4-methylphenyl)-3-methylhexan-1-amine (CID 107887070) is N-ethyl-2-(3-methoxy-4-methylphenyl)-3-methylhexan-1-amine.
What is the SMILES notation for N-ethyl-2-(3-methoxy-4-methylphenyl)-3-methylhexan-1-amine?
The canonical SMILES for N-ethyl-2-(3-methoxy-4-methylphenyl)-3-methylhexan-1-amine is CCCC(C)C(CNCC)c1ccc(C)c(OC)c1.
What is the InChIKey of N-ethyl-2-(3-methoxy-4-methylphenyl)-3-methylhexan-1-amine?
The InChIKey is RKMFXUUHKDRKCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-6-8-13(3)16(12-18-7-2)15-10-9-14(4)17(11-15)19-5/h9-11,13,16,18H,6-8,12H2,1-5H3.
What are the key properties of N-ethyl-2-(3-methoxy-4-methylphenyl)-3-methylhexan-1-amine?
N-ethyl-2-(3-methoxy-4-methylphenyl)-3-methylhexan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 4.13, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(3-methoxy-4-methylphenyl)-3-methylhexan-1-amine is sourced from PubChem (CID 107887070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).