2-(methoxymethyl)-3-(3-methylphenyl)-N-propylpropan-1-amine

C15H25NO — CID 113361832

IUPAC2-(methoxymethyl)-3-(3-methylphenyl)-N-propylpropan-1-amine
SMILESCCCNCC(COC)Cc1cccc(C)c1
InChIInChI=1S/C15H25NO/c1-4-8-16-11-15(12-17-3)10-14-7-5-6-13(2)9-14/h5-7,9,15-16H,4,8,10-12H2,1-3H3
InChIKeyPUZSLRKBSBTQLC-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.80
Rot. Bonds8

About 2-(methoxymethyl)-3-(3-methylphenyl)-N-propylpropan-1-amine

2-(methoxymethyl)-3-(3-methylphenyl)-N-propylpropan-1-amine (PubChem CID 113361832) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-(methoxymethyl)-3-(3-methylphenyl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name2-(methoxymethyl)-3-(3-methylphenyl)-N-propylpropan-1-amine
PubChem CID113361832
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name2-(methoxymethyl)-3-(3-methylphenyl)-N-propylpropan-1-amine
SMILESCCCNCC(COC)Cc1cccc(C)c1
InChIInChI=1S/C15H25NO/c1-4-8-16-11-15(12-17-3)10-14-7-5-6-13(2)9-14/h5-7,9,15-16H,4,8,10-12H2,1-3H3
InChIKeyPUZSLRKBSBTQLC-UHFFFAOYSA-N
XLogP2.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.80
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

N-[2-(methoxymethyl)-3-(3-methylphenyl)propyl]cyclopropanamine
CID 113361834
N-ethyl-2-[(3-methylphenyl)methyl]butan-1-amine
CID 62530963
2-benzyl-N-ethyl-3-methoxypropan-1-amine
CID 103984212
2-[(3-methylphenyl)methyl]-N-(2-methylpropyl)-4-propoxybutan-1-amine
CID 106456671
2-benzyl-3-phenyl-N-propylpropan-1-amine
CID 62530255
N-ethyl-2-(methoxymethyl)-3-(4-methylphenyl)propan-1-amine
CID 103984265
2-[(3-chlorophenyl)methyl]-3-methoxy-N-(2-methylpropyl)propan-1-amine
CID 103984352
2-[(3-fluorophenyl)methyl]-N-(2-methoxyethyl)pentan-1-amine
CID 55134646
4-methoxy-2-[(3-methylphenyl)methyl]butan-1-amine
CID 62529986
2-[(3-chlorophenyl)methyl]-4-(2-methylpropoxy)-N-propylbutan-1-amine
CID 106456686
N-ethyl-2-[(3-methylphenyl)methyl]-3-thiophen-3-ylpropan-1-amine
CID 62516103
2-[(3-chlorophenyl)methyl]-4-ethoxy-N-propylbutan-1-amine
CID 62515777

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-3-(3-methylphenyl)-N-propylpropan-1-amine?
The IUPAC name of 2-(methoxymethyl)-3-(3-methylphenyl)-N-propylpropan-1-amine (CID 113361832) is 2-(methoxymethyl)-3-(3-methylphenyl)-N-propylpropan-1-amine.
What is the SMILES notation for 2-(methoxymethyl)-3-(3-methylphenyl)-N-propylpropan-1-amine?
The canonical SMILES for 2-(methoxymethyl)-3-(3-methylphenyl)-N-propylpropan-1-amine is CCCNCC(COC)Cc1cccc(C)c1.
What is the InChIKey of 2-(methoxymethyl)-3-(3-methylphenyl)-N-propylpropan-1-amine?
The InChIKey is PUZSLRKBSBTQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-4-8-16-11-15(12-17-3)10-14-7-5-6-13(2)9-14/h5-7,9,15-16H,4,8,10-12H2,1-3H3.
What are the key properties of 2-(methoxymethyl)-3-(3-methylphenyl)-N-propylpropan-1-amine?
2-(methoxymethyl)-3-(3-methylphenyl)-N-propylpropan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 2.80, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-3-(3-methylphenyl)-N-propylpropan-1-amine is sourced from PubChem (CID 113361832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).