N-[[2-(pentoxymethyl)phenyl]methyl]propan-1-amine

C16H27NO — CID 62449906

IUPACN-[[2-(pentoxymethyl)phenyl]methyl]propan-1-amine
SMILESCCCCCOCc1ccccc1CNCCC
InChIInChI=1S/C16H27NO/c1-3-5-8-12-18-14-16-10-7-6-9-15(16)13-17-11-4-2/h6-7,9-10,17H,3-5,8,11-14H2,1-2H3
InChIKeyNNUGMEDELWUCAX-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.89
Rot. Bonds10

About N-[[2-(pentoxymethyl)phenyl]methyl]propan-1-amine

N-[[2-(pentoxymethyl)phenyl]methyl]propan-1-amine (PubChem CID 62449906) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is N-[[2-(pentoxymethyl)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(pentoxymethyl)phenyl]methyl]propan-1-amine
PubChem CID62449906
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC NameN-[[2-(pentoxymethyl)phenyl]methyl]propan-1-amine
SMILESCCCCCOCc1ccccc1CNCCC
InChIInChI=1S/C16H27NO/c1-3-5-8-12-18-14-16-10-7-6-9-15(16)13-17-11-4-2/h6-7,9-10,17H,3-5,8,11-14H2,1-2H3
InChIKeyNNUGMEDELWUCAX-UHFFFAOYSA-N
XLogP3.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[[2-(pentoxymethyl)phenyl]methyl]propan-1-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-ethyl-2-[2-(pentoxymethyl)phenyl]ethanamine
CID 113314855
N-[[2-(pentoxymethyl)phenyl]methyl]cyclopropanamine
CID 62450085
N-[[2-(heptoxymethyl)phenyl]methyl]propan-2-amine
CID 63490911
2-[2-(pentoxymethyl)phenyl]acetohydrazide
CID 115465239
N-[[2-(2,2-difluoroethoxymethyl)phenyl]methyl]propan-1-amine
CID 82006882
1-[2-(2-butoxyethoxymethyl)phenyl]-N-methylmethanamine
CID 62455461
N-[[2-[(heptylamino)methyl]phenyl]methyl]heptan-1-amine
CID 14801566
N-[[3-(octoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 63490926
5-[(2-fluorophenyl)methoxy]-N-propylpentan-1-amine
CID 63937972
N-[[2-[(4-methylcyclohexyl)oxymethyl]phenyl]methyl]propan-1-amine
CID 62445478
N-[[4-fluoro-3-(pentoxymethyl)phenyl]methyl]propan-1-amine
CID 107457179
N-[[2-(thiophen-2-ylmethoxymethyl)phenyl]methyl]propan-1-amine
CID 62484744

Frequently Asked Questions

What is the IUPAC name of N-[[2-(pentoxymethyl)phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(pentoxymethyl)phenyl]methyl]propan-1-amine (CID 62449906) is N-[[2-(pentoxymethyl)phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(pentoxymethyl)phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(pentoxymethyl)phenyl]methyl]propan-1-amine is CCCCCOCc1ccccc1CNCCC.
What is the InChIKey of N-[[2-(pentoxymethyl)phenyl]methyl]propan-1-amine?
The InChIKey is NNUGMEDELWUCAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-3-5-8-12-18-14-16-10-7-6-9-15(16)13-17-11-4-2/h6-7,9-10,17H,3-5,8,11-14H2,1-2H3.
What are the key properties of N-[[2-(pentoxymethyl)phenyl]methyl]propan-1-amine?
N-[[2-(pentoxymethyl)phenyl]methyl]propan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 3.89, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(pentoxymethyl)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 62449906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).