N-ethyl-6-methoxy-2-[(4-methylphenyl)methyl]hexan-1-amine

C17H29NO — CID 104649192

IUPACN-ethyl-6-methoxy-2-[(4-methylphenyl)methyl]hexan-1-amine
SMILESCCNCC(CCCCOC)Cc1ccc(C)cc1
InChIInChI=1S/C17H29NO/c1-4-18-14-17(7-5-6-12-19-3)13-16-10-8-15(2)9-11-16/h8-11,17-18H,4-7,12-14H2,1-3H3
InChIKeyGITQGWMJKNTLHU-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.58
Rot. Bonds10

About N-ethyl-6-methoxy-2-[(4-methylphenyl)methyl]hexan-1-amine

N-ethyl-6-methoxy-2-[(4-methylphenyl)methyl]hexan-1-amine (PubChem CID 104649192) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is N-ethyl-6-methoxy-2-[(4-methylphenyl)methyl]hexan-1-amine.

Molecular Properties

Compound NameN-ethyl-6-methoxy-2-[(4-methylphenyl)methyl]hexan-1-amine
PubChem CID104649192
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC NameN-ethyl-6-methoxy-2-[(4-methylphenyl)methyl]hexan-1-amine
SMILESCCNCC(CCCCOC)Cc1ccc(C)cc1
InChIInChI=1S/C17H29NO/c1-4-18-14-17(7-5-6-12-19-3)13-16-10-8-15(2)9-11-16/h8-11,17-18H,4-7,12-14H2,1-3H3
InChIKeyGITQGWMJKNTLHU-UHFFFAOYSA-N
XLogP3.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.58
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-2-(methoxymethyl)-3-(4-methylphenyl)propan-1-amine
CID 103984265
2-[(4-chlorophenyl)methyl]-N-ethyl-5-methoxypentan-1-amine
CID 55083300
1-[2-(chloromethyl)-6-methoxyhexyl]-4-methylbenzene
CID 104650668
4-butoxy-N-ethyl-2-[(4-methylphenyl)methyl]butan-1-amine
CID 62515207
N-tert-butyl-5-methoxy-2-[(4-methylphenyl)methyl]pentan-1-amine
CID 62514515
2-[(4-fluorophenyl)methyl]-6-methoxy-N-propylhexan-1-amine
CID 104649200
N-ethyl-2-[(4-fluorophenyl)methyl]-4-methoxybutan-1-amine
CID 62516080
2-benzyl-6-methoxy-N-(2-methoxyethyl)hexan-1-amine
CID 104649362
2-[(3-chlorophenyl)methyl]-N-ethyl-5-methoxypentan-1-amine
CID 62514731
N-(2-methoxyethyl)-2-[(4-methylphenyl)methyl]-4-propan-2-yloxybutan-1-amine
CID 62719047
2-[(4-bromophenyl)methyl]-N-(2-methoxyethyl)heptan-1-amine
CID 63503519
N-ethyl-4-methyl-2-[(4-methylphenyl)methyl]heptan-1-amine
CID 63522236

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-methoxy-2-[(4-methylphenyl)methyl]hexan-1-amine?
The IUPAC name of N-ethyl-6-methoxy-2-[(4-methylphenyl)methyl]hexan-1-amine (CID 104649192) is N-ethyl-6-methoxy-2-[(4-methylphenyl)methyl]hexan-1-amine.
What is the SMILES notation for N-ethyl-6-methoxy-2-[(4-methylphenyl)methyl]hexan-1-amine?
The canonical SMILES for N-ethyl-6-methoxy-2-[(4-methylphenyl)methyl]hexan-1-amine is CCNCC(CCCCOC)Cc1ccc(C)cc1.
What is the InChIKey of N-ethyl-6-methoxy-2-[(4-methylphenyl)methyl]hexan-1-amine?
The InChIKey is GITQGWMJKNTLHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-4-18-14-17(7-5-6-12-19-3)13-16-10-8-15(2)9-11-16/h8-11,17-18H,4-7,12-14H2,1-3H3.
What are the key properties of N-ethyl-6-methoxy-2-[(4-methylphenyl)methyl]hexan-1-amine?
N-ethyl-6-methoxy-2-[(4-methylphenyl)methyl]hexan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 3.58, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-methoxy-2-[(4-methylphenyl)methyl]hexan-1-amine is sourced from PubChem (CID 104649192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).