N-(4-methoxybutyl)-1-phenylbutan-2-amine

C15H25NO — CID 79008478

IUPACN-(4-methoxybutyl)-1-phenylbutan-2-amine
SMILESCCC(Cc1ccccc1)NCCCCOC
InChIInChI=1S/C15H25NO/c1-3-15(16-11-7-8-12-17-2)13-14-9-5-4-6-10-14/h4-6,9-10,15-16H,3,7-8,11-13H2,1-2H3
InChIKeyNEDSAZFIBOISLB-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.02
Rot. Bonds9

About N-(4-methoxybutyl)-1-phenylbutan-2-amine

N-(4-methoxybutyl)-1-phenylbutan-2-amine (PubChem CID 79008478) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is N-(4-methoxybutyl)-1-phenylbutan-2-amine.

Molecular Properties

Compound NameN-(4-methoxybutyl)-1-phenylbutan-2-amine
PubChem CID79008478
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC NameN-(4-methoxybutyl)-1-phenylbutan-2-amine
SMILESCCC(Cc1ccccc1)NCCCCOC
InChIInChI=1S/C15H25NO/c1-3-15(16-11-7-8-12-17-2)13-14-9-5-4-6-10-14/h4-6,9-10,15-16H,3,7-8,11-13H2,1-2H3
InChIKeyNEDSAZFIBOISLB-UHFFFAOYSA-N
XLogP3.02
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 ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(4-methoxybutyl)-1-phenylbutan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-methoxypropyl)-1-phenylbutan-2-amine
CID 79007280
(2S)-N-(2-methoxyethyl)-1-phenylbutan-2-amine
CID 97357815
4-(1-phenylbutan-2-ylamino)butanamide
CID 79007526
2-(1-phenylbutan-2-ylamino)ethyl carbamate
CID 83212188
N-(2,2-dimethoxyethyl)-1-phenylbutan-2-amine
CID 79007730
3-(1-phenylbutan-2-ylamino)propanenitrile
CID 79007282
N-methoxy-1-phenylbutan-2-amine
CID 82707148
N-(1-chloro-3-phenylpropan-2-yl)octan-1-amine
CID 65026152
2-(heptylamino)-3-phenylpropan-1-ol
CID 63260589
1-methoxy-7-phenyl-N-propylheptan-4-amine
CID 65092055
2,2-dimethyl-4-(1-phenylbutan-2-ylamino)butanoic acid
CID 122127230
(2S)-N-benzyl-1-methoxybutan-2-amine
CID 95366266

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxybutyl)-1-phenylbutan-2-amine?
The IUPAC name of N-(4-methoxybutyl)-1-phenylbutan-2-amine (CID 79008478) is N-(4-methoxybutyl)-1-phenylbutan-2-amine.
What is the SMILES notation for N-(4-methoxybutyl)-1-phenylbutan-2-amine?
The canonical SMILES for N-(4-methoxybutyl)-1-phenylbutan-2-amine is CCC(Cc1ccccc1)NCCCCOC.
What is the InChIKey of N-(4-methoxybutyl)-1-phenylbutan-2-amine?
The InChIKey is NEDSAZFIBOISLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-3-15(16-11-7-8-12-17-2)13-14-9-5-4-6-10-14/h4-6,9-10,15-16H,3,7-8,11-13H2,1-2H3.
What are the key properties of N-(4-methoxybutyl)-1-phenylbutan-2-amine?
N-(4-methoxybutyl)-1-phenylbutan-2-amine has a molecular weight of 235.37 g/mol, XLogP of 3.02, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxybutyl)-1-phenylbutan-2-amine is sourced from PubChem (CID 79008478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).