5-methoxy-2-[(2-methylphenyl)methyl]-N-propylpentan-1-amine

C17H29NO — CID 55083208

IUPAC5-methoxy-2-[(2-methylphenyl)methyl]-N-propylpentan-1-amine
SMILESCCCNCC(CCCOC)Cc1ccccc1C
InChIInChI=1S/C17H29NO/c1-4-11-18-14-16(9-7-12-19-3)13-17-10-6-5-8-15(17)2/h5-6,8,10,16,18H,4,7,9,11-14H2,1-3H3
InChIKeySQWXSXRZJHHAOA-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.58
Rot. Bonds10

About 5-methoxy-2-[(2-methylphenyl)methyl]-N-propylpentan-1-amine

5-methoxy-2-[(2-methylphenyl)methyl]-N-propylpentan-1-amine (PubChem CID 55083208) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 5-methoxy-2-[(2-methylphenyl)methyl]-N-propylpentan-1-amine.

Molecular Properties

Compound Name5-methoxy-2-[(2-methylphenyl)methyl]-N-propylpentan-1-amine
PubChem CID55083208
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name5-methoxy-2-[(2-methylphenyl)methyl]-N-propylpentan-1-amine
SMILESCCCNCC(CCCOC)Cc1ccccc1C
InChIInChI=1S/C17H29NO/c1-4-11-18-14-16(9-7-12-19-3)13-17-10-6-5-8-15(17)2/h5-6,8,10,16,18H,4,7,9,11-14H2,1-3H3
InChIKeySQWXSXRZJHHAOA-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-(2-methoxyethyl)-6-methyl-2-[(2-methylphenyl)methyl]heptan-1-amine
CID 83148264
N-ethyl-4-(3-methoxypropoxy)-2-[(2-methylphenyl)methyl]butan-1-amine
CID 103183382
2-[(2-bromophenyl)methyl]-5-methoxy-N-(2-methoxyethyl)pentan-1-amine
CID 62718705
2-(ethoxymethyl)-N-(2-methoxyethyl)-3-(2-methylphenyl)propan-1-amine
CID 103984660
N-ethyl-5-methoxy-2-[(2-methoxyphenyl)methyl]pentan-1-amine
CID 62514235
2-[(4-fluorophenyl)methyl]-6-methoxy-N-propylhexan-1-amine
CID 104649200
2-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)octan-1-amine
CID 63502143
2-benzyl-N-(2-methoxyethyl)hexan-1-amine
CID 62725458
N-ethyl-2-[(2-methylphenyl)methyl]-4-propan-2-yloxybutan-1-amine
CID 62514748
2-[(2-chlorophenyl)methyl]-N-propylnonan-1-amine
CID 63520885
2-benzyl-6-methoxy-N-(2-methoxyethyl)hexan-1-amine
CID 104649362
N-(2-methoxyethyl)-3-methyl-2-[(2-methylphenyl)methyl]butan-1-amine
CID 62718997

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[(2-methylphenyl)methyl]-N-propylpentan-1-amine?
The IUPAC name of 5-methoxy-2-[(2-methylphenyl)methyl]-N-propylpentan-1-amine (CID 55083208) is 5-methoxy-2-[(2-methylphenyl)methyl]-N-propylpentan-1-amine.
What is the SMILES notation for 5-methoxy-2-[(2-methylphenyl)methyl]-N-propylpentan-1-amine?
The canonical SMILES for 5-methoxy-2-[(2-methylphenyl)methyl]-N-propylpentan-1-amine is CCCNCC(CCCOC)Cc1ccccc1C.
What is the InChIKey of 5-methoxy-2-[(2-methylphenyl)methyl]-N-propylpentan-1-amine?
The InChIKey is SQWXSXRZJHHAOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-4-11-18-14-16(9-7-12-19-3)13-17-10-6-5-8-15(17)2/h5-6,8,10,16,18H,4,7,9,11-14H2,1-3H3.
What are the key properties of 5-methoxy-2-[(2-methylphenyl)methyl]-N-propylpentan-1-amine?
5-methoxy-2-[(2-methylphenyl)methyl]-N-propylpentan-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 5-methoxy-2-[(2-methylphenyl)methyl]-N-propylpentan-1-amine is sourced from PubChem (CID 55083208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).