2-[(3-methoxyphenyl)methyl]-6-methyl-N-propylheptan-1-amine

C19H33NO — CID 83148145

IUPAC2-[(3-methoxyphenyl)methyl]-6-methyl-N-propylheptan-1-amine
SMILESCCCNCC(CCCC(C)C)Cc1cccc(OC)c1
InChIInChI=1S/C19H33NO/c1-5-12-20-15-18(10-6-8-16(2)3)13-17-9-7-11-19(14-17)21-4/h7,9,11,14,16,18,20H,5-6,8,10,12-13,15H2,1-4H3
InChIKeyYAIMIMDRLXILLQ-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.68
Rot. Bonds11

About 2-[(3-methoxyphenyl)methyl]-6-methyl-N-propylheptan-1-amine

2-[(3-methoxyphenyl)methyl]-6-methyl-N-propylheptan-1-amine (PubChem CID 83148145) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is 2-[(3-methoxyphenyl)methyl]-6-methyl-N-propylheptan-1-amine.

Molecular Properties

Compound Name2-[(3-methoxyphenyl)methyl]-6-methyl-N-propylheptan-1-amine
PubChem CID83148145
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC Name2-[(3-methoxyphenyl)methyl]-6-methyl-N-propylheptan-1-amine
SMILESCCCNCC(CCCC(C)C)Cc1cccc(OC)c1
InChIInChI=1S/C19H33NO/c1-5-12-20-15-18(10-6-8-16(2)3)13-17-9-7-11-19(14-17)21-4/h7,9,11,14,16,18,20H,5-6,8,10,12-13,15H2,1-4H3
InChIKeyYAIMIMDRLXILLQ-UHFFFAOYSA-N
XLogP4.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(3-methoxyphenyl)methyl]-5-methyl-N-(2-methylpropyl)hexan-1-amine
CID 63521216
1-(3-methoxyphenyl)-6-methyl-N-propylheptan-2-amine
CID 83162309
5-methoxy-2-[(3-methoxyphenyl)methyl]-N-(2-methylpropyl)pentan-1-amine
CID 62514571
2-(furan-2-ylmethyl)-3-(3-methoxyphenyl)-N-propylpropan-1-amine
CID 62999781
5-ethoxy-N-ethyl-2-[(3-methoxyphenyl)methyl]pentan-1-amine
CID 65180749
2-[(3-methoxyphenyl)methyl]-N-propyl-3-(1,3-thiazol-5-yl)propan-1-amine
CID 115979384
N-ethyl-2-[(3-methoxyphenyl)methyl]butan-1-amine
CID 62530770
4-ethoxy-N-ethyl-2-[(3-methoxyphenyl)methyl]butan-1-amine
CID 55210216
2-[(3-bromophenyl)methyl]-N-propylheptan-1-amine
CID 63521929
2-[(3-methoxyphenyl)methoxy]-N-propylpentan-1-amine
CID 83046234
2-[(3-methoxyphenyl)methyl]octan-1-ol
CID 66058454
2-benzyl-N-propylheptan-1-amine
CID 63496184

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxyphenyl)methyl]-6-methyl-N-propylheptan-1-amine?
The IUPAC name of 2-[(3-methoxyphenyl)methyl]-6-methyl-N-propylheptan-1-amine (CID 83148145) is 2-[(3-methoxyphenyl)methyl]-6-methyl-N-propylheptan-1-amine.
What is the SMILES notation for 2-[(3-methoxyphenyl)methyl]-6-methyl-N-propylheptan-1-amine?
The canonical SMILES for 2-[(3-methoxyphenyl)methyl]-6-methyl-N-propylheptan-1-amine is CCCNCC(CCCC(C)C)Cc1cccc(OC)c1.
What is the InChIKey of 2-[(3-methoxyphenyl)methyl]-6-methyl-N-propylheptan-1-amine?
The InChIKey is YAIMIMDRLXILLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO/c1-5-12-20-15-18(10-6-8-16(2)3)13-17-9-7-11-19(14-17)21-4/h7,9,11,14,16,18,20H,5-6,8,10,12-13,15H2,1-4H3.
What are the key properties of 2-[(3-methoxyphenyl)methyl]-6-methyl-N-propylheptan-1-amine?
2-[(3-methoxyphenyl)methyl]-6-methyl-N-propylheptan-1-amine has a molecular weight of 291.48 g/mol, XLogP of 4.68, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxyphenyl)methyl]-6-methyl-N-propylheptan-1-amine is sourced from PubChem (CID 83148145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).