3-methoxy-2-methyl-N-(4-phenylbutyl)propan-1-amine

C15H25NO — CID 114333309

IUPAC3-methoxy-2-methyl-N-(4-phenylbutyl)propan-1-amine
SMILESCOCC(C)CNCCCCc1ccccc1
InChIInChI=1S/C15H25NO/c1-14(13-17-2)12-16-11-7-6-10-15-8-4-3-5-9-15/h3-5,8-9,14,16H,6-7,10-13H2,1-2H3
InChIKeyPYQCZBRUFCCPAV-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.88
Rot. Bonds9

About 3-methoxy-2-methyl-N-(4-phenylbutyl)propan-1-amine

3-methoxy-2-methyl-N-(4-phenylbutyl)propan-1-amine (PubChem CID 114333309) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 3-methoxy-2-methyl-N-(4-phenylbutyl)propan-1-amine.

Molecular Properties

Compound Name3-methoxy-2-methyl-N-(4-phenylbutyl)propan-1-amine
PubChem CID114333309
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name3-methoxy-2-methyl-N-(4-phenylbutyl)propan-1-amine
SMILESCOCC(C)CNCCCCc1ccccc1
InChIInChI=1S/C15H25NO/c1-14(13-17-2)12-16-11-7-6-10-15-8-4-3-5-9-15/h3-5,8-9,14,16H,6-7,10-13H2,1-2H3
InChIKeyPYQCZBRUFCCPAV-UHFFFAOYSA-N
XLogP2.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.88
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-methyl-N-(4-phenylbutyl)butan-1-amine
CID 115887248
3-chloro-4-methoxy-N-(4-phenylbutyl)butan-1-amine
CID 106242639
1-methoxy-4-(4-phenylbutylamino)butan-2-ol
CID 106246401
2,3,3-trimethyl-N-(4-phenylbutyl)butan-1-amine
CID 114333508
2-methyl-3-(4-phenylbutylamino)propanoic acid
CID 174412747
N-[2-(2-methoxyethoxy)ethyl]-4-phenylbutan-1-amine
CID 114333296
2-chloro-N-(3-phenylpropyl)propan-1-amine
CID 65024000
N-(3-methoxypropyl)-3-phenylpropan-1-amine
CID 28674385
2-phenyl-N-(3-phenylpropyl)propan-1-amine;hydrochloride
CID 13011907
2-chloro-N-(4-phenylbutyl)butan-1-amine
CID 114334752
4-methoxy-N-(4-phenylbutyl)butan-2-amine
CID 115688342
2-methyl-5-(3-phenylpropylamino)pentan-1-ol
CID 114151635

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-methyl-N-(4-phenylbutyl)propan-1-amine?
The IUPAC name of 3-methoxy-2-methyl-N-(4-phenylbutyl)propan-1-amine (CID 114333309) is 3-methoxy-2-methyl-N-(4-phenylbutyl)propan-1-amine.
What is the SMILES notation for 3-methoxy-2-methyl-N-(4-phenylbutyl)propan-1-amine?
The canonical SMILES for 3-methoxy-2-methyl-N-(4-phenylbutyl)propan-1-amine is COCC(C)CNCCCCc1ccccc1.
What is the InChIKey of 3-methoxy-2-methyl-N-(4-phenylbutyl)propan-1-amine?
The InChIKey is PYQCZBRUFCCPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-14(13-17-2)12-16-11-7-6-10-15-8-4-3-5-9-15/h3-5,8-9,14,16H,6-7,10-13H2,1-2H3.
What are the key properties of 3-methoxy-2-methyl-N-(4-phenylbutyl)propan-1-amine?
3-methoxy-2-methyl-N-(4-phenylbutyl)propan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 2.88, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-methyl-N-(4-phenylbutyl)propan-1-amine is sourced from PubChem (CID 114333309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).