N-[(4-butoxyphenyl)methyl]-1-methylpyrrolidin-3-amine

C16H26N2O — CID 61462393

IUPACN-[(4-butoxyphenyl)methyl]-1-methylpyrrolidin-3-amine
SMILESCCCCOc1ccc(CNC2CCN(C)C2)cc1
InChIInChI=1S/C16H26N2O/c1-3-4-11-19-16-7-5-14(6-8-16)12-17-15-9-10-18(2)13-15/h5-8,15,17H,3-4,9-13H2,1-2H3
InChIKeyQNTJJFUITGNUFF-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.66
Rot. Bonds7

About N-[(4-butoxyphenyl)methyl]-1-methylpyrrolidin-3-amine

N-[(4-butoxyphenyl)methyl]-1-methylpyrrolidin-3-amine (PubChem CID 61462393) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-[(4-butoxyphenyl)methyl]-1-methylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-[(4-butoxyphenyl)methyl]-1-methylpyrrolidin-3-amine
PubChem CID61462393
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-[(4-butoxyphenyl)methyl]-1-methylpyrrolidin-3-amine
SMILESCCCCOc1ccc(CNC2CCN(C)C2)cc1
InChIInChI=1S/C16H26N2O/c1-3-4-11-19-16-7-5-14(6-8-16)12-17-15-9-10-18(2)13-15/h5-8,15,17H,3-4,9-13H2,1-2H3
InChIKeyQNTJJFUITGNUFF-UHFFFAOYSA-N
XLogP2.66
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(4-butoxyphenyl)methyl]-1-methylpyrrolidin-3-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-[(4-ethoxyphenyl)methyl]-1-methylpyrrolidin-3-amine
CID 54950112
N-[(4-ethoxyphenyl)methyl]-1-methylpiperidin-3-amine
CID 61212892
N-[(4-butoxyphenyl)methyl]-4-ethylcyclohexan-1-amine
CID 63453718
N-[(4-octoxyphenyl)methyl]cyclopropanamine
CID 43213779
methyl 4-[(4-pentoxyphenyl)methylamino]piperidine-1-carboxylate
CID 86843151
N-[[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methyl]cyclopropanamine
CID 62439588
1-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-3-amine
CID 61212894
4-[[(1-methylpyrrolidin-3-yl)amino]methyl]benzoic acid
CID 55049267
N-[(4-butoxyphenyl)methyl]-3,3-difluorocyclobutan-1-amine
CID 167311863
N-[(4-butoxyphenyl)methyl]oxan-3-amine
CID 63360097
1-methyl-N-[(4-piperidin-1-ylphenyl)methyl]pyrrolidin-3-amine
CID 61462297
N-[(4-ethoxyphenyl)methyl]-1-ethylpiperidin-4-amine
CID 60657865

Frequently Asked Questions

What is the IUPAC name of N-[(4-butoxyphenyl)methyl]-1-methylpyrrolidin-3-amine?
The IUPAC name of N-[(4-butoxyphenyl)methyl]-1-methylpyrrolidin-3-amine (CID 61462393) is N-[(4-butoxyphenyl)methyl]-1-methylpyrrolidin-3-amine.
What is the SMILES notation for N-[(4-butoxyphenyl)methyl]-1-methylpyrrolidin-3-amine?
The canonical SMILES for N-[(4-butoxyphenyl)methyl]-1-methylpyrrolidin-3-amine is CCCCOc1ccc(CNC2CCN(C)C2)cc1.
What is the InChIKey of N-[(4-butoxyphenyl)methyl]-1-methylpyrrolidin-3-amine?
The InChIKey is QNTJJFUITGNUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-3-4-11-19-16-7-5-14(6-8-16)12-17-15-9-10-18(2)13-15/h5-8,15,17H,3-4,9-13H2,1-2H3.
What are the key properties of N-[(4-butoxyphenyl)methyl]-1-methylpyrrolidin-3-amine?
N-[(4-butoxyphenyl)methyl]-1-methylpyrrolidin-3-amine has a molecular weight of 262.40 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-butoxyphenyl)methyl]-1-methylpyrrolidin-3-amine is sourced from PubChem (CID 61462393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).