N-[(2-butoxyphenyl)methyl]-1-(oxolan-2-yl)methanamine

C16H25NO2 — CID 46736211

IUPACN-[(2-butoxyphenyl)methyl]-1-(oxolan-2-yl)methanamine
SMILESCCCCOc1ccccc1CNCC1CCCO1
InChIInChI=1S/C16H25NO2/c1-2-3-10-19-16-9-5-4-7-14(16)12-17-13-15-8-6-11-18-15/h4-5,7,9,15,17H,2-3,6,8,10-13H2,1H3
InChIKeyBYRLNKSVOHOAFW-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.13
Rot. Bonds8

About N-[(2-butoxyphenyl)methyl]-1-(oxolan-2-yl)methanamine

N-[(2-butoxyphenyl)methyl]-1-(oxolan-2-yl)methanamine (PubChem CID 46736211) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[(2-butoxyphenyl)methyl]-1-(oxolan-2-yl)methanamine.

Molecular Properties

Compound NameN-[(2-butoxyphenyl)methyl]-1-(oxolan-2-yl)methanamine
PubChem CID46736211
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-[(2-butoxyphenyl)methyl]-1-(oxolan-2-yl)methanamine
SMILESCCCCOc1ccccc1CNCC1CCCO1
InChIInChI=1S/C16H25NO2/c1-2-3-10-19-16-9-5-4-7-14(16)12-17-13-15-8-6-11-18-15/h4-5,7,9,15,17H,2-3,6,8,10-13H2,1H3
InChIKeyBYRLNKSVOHOAFW-UHFFFAOYSA-N
XLogP3.13
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(2-butoxyphenyl)methyl]-1-(oxolan-2-yl)methanamine 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-[[2-(2-ethoxyethoxy)phenyl]methyl]-1-(oxolan-2-yl)methanamine
CID 46736214
N-[(2-butoxy-3-methoxyphenyl)methyl]-1-(oxolan-2-yl)methanamine
CID 54847592
N-[[2-[(2-methylphenyl)methoxy]phenyl]methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 51990583
N-[[2-[(2-methylphenyl)methoxy]phenyl]methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 51990581
2-(2-butoxyphenoxy)-N-(oxolan-2-ylmethyl)ethanamine;hydrochloride
CID 2995705
N-[(2-methoxyphenyl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 964934
N-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]-1-(oxolan-2-yl)methanamine
CID 17054250
2-[2-[[[(2R)-oxolan-2-yl]methylamino]methyl]phenoxy]acetic acid
CID 95003278
N-[[2-[(2R)-butan-2-yl]oxyphenyl]methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 95167614
N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]-1-(oxolan-2-yl)methanamine
CID 2964115
2-methyl-N-[[2-[3-(oxolan-2-yl)propoxy]phenyl]methyl]propan-1-amine
CID 65158500
N-[(5-bromo-2-propoxyphenyl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 29224673

Frequently Asked Questions

What is the IUPAC name of N-[(2-butoxyphenyl)methyl]-1-(oxolan-2-yl)methanamine?
The IUPAC name of N-[(2-butoxyphenyl)methyl]-1-(oxolan-2-yl)methanamine (CID 46736211) is N-[(2-butoxyphenyl)methyl]-1-(oxolan-2-yl)methanamine.
What is the SMILES notation for N-[(2-butoxyphenyl)methyl]-1-(oxolan-2-yl)methanamine?
The canonical SMILES for N-[(2-butoxyphenyl)methyl]-1-(oxolan-2-yl)methanamine is CCCCOc1ccccc1CNCC1CCCO1.
What is the InChIKey of N-[(2-butoxyphenyl)methyl]-1-(oxolan-2-yl)methanamine?
The InChIKey is BYRLNKSVOHOAFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-2-3-10-19-16-9-5-4-7-14(16)12-17-13-15-8-6-11-18-15/h4-5,7,9,15,17H,2-3,6,8,10-13H2,1H3.
What are the key properties of N-[(2-butoxyphenyl)methyl]-1-(oxolan-2-yl)methanamine?
N-[(2-butoxyphenyl)methyl]-1-(oxolan-2-yl)methanamine has a molecular weight of 263.38 g/mol, XLogP of 3.13, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-butoxyphenyl)methyl]-1-(oxolan-2-yl)methanamine is sourced from PubChem (CID 46736211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).