6-methoxy-2-(3-methylphenyl)-N-propylhexan-1-amine

C17H29NO — CID 104649439

IUPAC6-methoxy-2-(3-methylphenyl)-N-propylhexan-1-amine
SMILESCCCNCC(CCCCOC)c1cccc(C)c1
InChIInChI=1S/C17H29NO/c1-4-11-18-14-17(9-5-6-12-19-3)16-10-7-8-15(2)13-16/h7-8,10,13,17-18H,4-6,9,11-12,14H2,1-3H3
InChIKeySXUUUMXCWFVDNX-UHFFFAOYSA-N
MW263.42 g/mol
LogP3.89
Rot. Bonds10

About 6-methoxy-2-(3-methylphenyl)-N-propylhexan-1-amine

6-methoxy-2-(3-methylphenyl)-N-propylhexan-1-amine (PubChem CID 104649439) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is 6-methoxy-2-(3-methylphenyl)-N-propylhexan-1-amine.

Molecular Properties

Compound Name6-methoxy-2-(3-methylphenyl)-N-propylhexan-1-amine
PubChem CID104649439
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC Name6-methoxy-2-(3-methylphenyl)-N-propylhexan-1-amine
SMILESCCCNCC(CCCCOC)c1cccc(C)c1
InChIInChI=1S/C17H29NO/c1-4-11-18-14-17(9-5-6-12-19-3)16-10-7-8-15(2)13-16/h7-8,10,13,17-18H,4-6,9,11-12,14H2,1-3H3
InChIKeySXUUUMXCWFVDNX-UHFFFAOYSA-N
XLogP3.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 53.89
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

5-methoxy-2-(3-methylphenyl)-N-propylpentan-1-amine
CID 79417297
4-(3-methoxypropoxy)-2-(3-methylphenyl)-N-propylbutan-1-amine
CID 103183665
2-(3-methylphenyl)-N-propyloctan-1-amine
CID 79416667
N-ethyl-5-(2-methoxyethoxy)-2-(3-methylphenyl)pentan-1-amine
CID 103412573
2-(3-fluorophenyl)-6-methoxy-N-(2-methoxyethyl)hexan-1-amine
CID 104649483
2-(4-chlorophenyl)-6-methoxy-N-propylhexan-1-amine
CID 104649470
5,5-dimethyl-2-(3-methylphenyl)-N-propylhexan-1-amine
CID 79416848
4-ethylsulfonyl-2-(3-methylphenyl)-N-propylbutan-1-amine
CID 79417569
N-ethyl-4-(2-methoxyethoxy)-2-(3-methylphenyl)butan-1-amine
CID 79416737
4-ethyl-N-(2-methoxyethyl)-2-(3-methylphenyl)hexan-1-amine
CID 82930758
N-ethyl-6-methoxy-2-phenylhexan-1-amine
CID 81024742
2-(2-bromophenyl)-6-methoxy-N-propylhexan-1-amine
CID 104649517

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-(3-methylphenyl)-N-propylhexan-1-amine?
The IUPAC name of 6-methoxy-2-(3-methylphenyl)-N-propylhexan-1-amine (CID 104649439) is 6-methoxy-2-(3-methylphenyl)-N-propylhexan-1-amine.
What is the SMILES notation for 6-methoxy-2-(3-methylphenyl)-N-propylhexan-1-amine?
The canonical SMILES for 6-methoxy-2-(3-methylphenyl)-N-propylhexan-1-amine is CCCNCC(CCCCOC)c1cccc(C)c1.
What is the InChIKey of 6-methoxy-2-(3-methylphenyl)-N-propylhexan-1-amine?
The InChIKey is SXUUUMXCWFVDNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-4-11-18-14-17(9-5-6-12-19-3)16-10-7-8-15(2)13-16/h7-8,10,13,17-18H,4-6,9,11-12,14H2,1-3H3.
What are the key properties of 6-methoxy-2-(3-methylphenyl)-N-propylhexan-1-amine?
6-methoxy-2-(3-methylphenyl)-N-propylhexan-1-amine has a molecular weight of 263.42 g/mol, XLogP of 3.89, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-(3-methylphenyl)-N-propylhexan-1-amine is sourced from PubChem (CID 104649439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).