1-methoxy-7-phenyl-N-propylheptan-4-amine

C17H29NO — CID 65092055

IUPAC1-methoxy-7-phenyl-N-propylheptan-4-amine
SMILESCCCNC(CCCOC)CCCc1ccccc1
InChIInChI=1S/C17H29NO/c1-3-14-18-17(13-8-15-19-2)12-7-11-16-9-5-4-6-10-16/h4-6,9-10,17-18H,3,7-8,11-15H2,1-2H3
InChIKeyHYVBXOXULIDPPF-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.80
Rot. Bonds11

About 1-methoxy-7-phenyl-N-propylheptan-4-amine

1-methoxy-7-phenyl-N-propylheptan-4-amine (PubChem CID 65092055) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 1-methoxy-7-phenyl-N-propylheptan-4-amine.

Molecular Properties

Compound Name1-methoxy-7-phenyl-N-propylheptan-4-amine
PubChem CID65092055
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name1-methoxy-7-phenyl-N-propylheptan-4-amine
SMILESCCCNC(CCCOC)CCCc1ccccc1
InChIInChI=1S/C17H29NO/c1-3-14-18-17(13-8-15-19-2)12-7-11-16-9-5-4-6-10-16/h4-6,9-10,17-18H,3,7-8,11-15H2,1-2H3
InChIKeyHYVBXOXULIDPPF-UHFFFAOYSA-N
XLogP3.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.80
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-1-phenoxy-N-propylpentan-2-amine
CID 112688298
1-methylsulfanyl-5-phenyl-N-propylpentan-2-amine
CID 62693417
6-methoxy-N-propyl-1-pyridin-2-ylhexan-3-amine
CID 105190112
1-ethoxy-N-ethyl-7-phenylheptan-4-amine
CID 105139776
6-methoxy-N-methyl-1-phenylhexan-3-amine
CID 62602732
1-methoxy-N-methyl-6-phenylhexan-3-amine
CID 62605190
1-methoxy-N-propyldodecan-4-amine
CID 65091880
(6-methoxy-1-phenylhexan-3-yl)hydrazine
CID 105205746
5-methoxy-1-(4-methoxyphenyl)-N-propylpentan-2-amine
CID 112688247
2-methoxy-2-methyl-6-phenyl-N-propylhexan-3-amine
CID 79198405
N-(2-phenylethyl)octan-4-amine
CID 11128217
1-(4-chlorophenyl)-5-methoxy-N-propylpentan-2-amine
CID 62601304

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-7-phenyl-N-propylheptan-4-amine?
The IUPAC name of 1-methoxy-7-phenyl-N-propylheptan-4-amine (CID 65092055) is 1-methoxy-7-phenyl-N-propylheptan-4-amine.
What is the SMILES notation for 1-methoxy-7-phenyl-N-propylheptan-4-amine?
The canonical SMILES for 1-methoxy-7-phenyl-N-propylheptan-4-amine is CCCNC(CCCOC)CCCc1ccccc1.
What is the InChIKey of 1-methoxy-7-phenyl-N-propylheptan-4-amine?
The InChIKey is HYVBXOXULIDPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-3-14-18-17(13-8-15-19-2)12-7-11-16-9-5-4-6-10-16/h4-6,9-10,17-18H,3,7-8,11-15H2,1-2H3.
What are the key properties of 1-methoxy-7-phenyl-N-propylheptan-4-amine?
1-methoxy-7-phenyl-N-propylheptan-4-amine has a molecular weight of 263.43 g/mol, XLogP of 3.80, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-7-phenyl-N-propylheptan-4-amine is sourced from PubChem (CID 65092055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).