N-[3-(2-methoxyethoxy)propyl]-1-phenylbutan-1-amine

C16H27NO2 — CID 43206929

IUPACN-[3-(2-methoxyethoxy)propyl]-1-phenylbutan-1-amine
SMILESCCCC(NCCCOCCOC)c1ccccc1
InChIInChI=1S/C16H27NO2/c1-3-8-16(15-9-5-4-6-10-15)17-11-7-12-19-14-13-18-2/h4-6,9-10,16-17H,3,7-8,11-14H2,1-2H3
InChIKeyIPFFHPXMFDFUMQ-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.17
Rot. Bonds11

About N-[3-(2-methoxyethoxy)propyl]-1-phenylbutan-1-amine

N-[3-(2-methoxyethoxy)propyl]-1-phenylbutan-1-amine (PubChem CID 43206929) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is N-[3-(2-methoxyethoxy)propyl]-1-phenylbutan-1-amine.

Molecular Properties

Compound NameN-[3-(2-methoxyethoxy)propyl]-1-phenylbutan-1-amine
PubChem CID43206929
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC NameN-[3-(2-methoxyethoxy)propyl]-1-phenylbutan-1-amine
SMILESCCCC(NCCCOCCOC)c1ccccc1
InChIInChI=1S/C16H27NO2/c1-3-8-16(15-9-5-4-6-10-15)17-11-7-12-19-14-13-18-2/h4-6,9-10,16-17H,3,7-8,11-14H2,1-2H3
InChIKeyIPFFHPXMFDFUMQ-UHFFFAOYSA-N
XLogP3.17
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[3-(2-methoxyethoxy)propyl]-1-phenylbutan-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

3-butoxy-N-(2-methoxy-1-phenylethyl)propan-1-amine
CID 103464688
N-ethyl-6-(2-methoxyethoxy)-1-phenylhexan-1-amine
CID 103413713
N-(2-butoxyethyl)-1-phenylhexan-1-amine
CID 63452751
N'-(2-methoxyethyl)-N'-methyl-N-(1-phenylbutyl)ethane-1,2-diamine
CID 62844460
N-ethyl-2-[3-(2-methoxyethoxy)propoxy]-1-phenylethanamine
CID 103401642
5-methyl-N-(1-phenylbutyl)hexan-1-amine
CID 115324964
N-[3-(2-methoxyethoxy)propyl]-1-(2-methoxyphenyl)propan-1-amine
CID 43770870
1-(3-bromophenyl)-N-[3-(2-methoxyethoxy)propyl]propan-1-amine
CID 43770902
N-(3,3-diphenylpropyl)-1-phenylbutan-1-amine
CID 20642754
4-butoxy-N-ethyl-1-phenylbutan-1-amine
CID 54956660
3-butoxy-N-ethyl-1-phenylpropan-1-amine
CID 115002192
1-phenyl-N-(3-phenylpropyl)butan-1-amine;hydrochloride
CID 3027694

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxyethoxy)propyl]-1-phenylbutan-1-amine?
The IUPAC name of N-[3-(2-methoxyethoxy)propyl]-1-phenylbutan-1-amine (CID 43206929) is N-[3-(2-methoxyethoxy)propyl]-1-phenylbutan-1-amine.
What is the SMILES notation for N-[3-(2-methoxyethoxy)propyl]-1-phenylbutan-1-amine?
The canonical SMILES for N-[3-(2-methoxyethoxy)propyl]-1-phenylbutan-1-amine is CCCC(NCCCOCCOC)c1ccccc1.
What is the InChIKey of N-[3-(2-methoxyethoxy)propyl]-1-phenylbutan-1-amine?
The InChIKey is IPFFHPXMFDFUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-3-8-16(15-9-5-4-6-10-15)17-11-7-12-19-14-13-18-2/h4-6,9-10,16-17H,3,7-8,11-14H2,1-2H3.
What are the key properties of N-[3-(2-methoxyethoxy)propyl]-1-phenylbutan-1-amine?
N-[3-(2-methoxyethoxy)propyl]-1-phenylbutan-1-amine has a molecular weight of 265.40 g/mol, XLogP of 3.17, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxyethoxy)propyl]-1-phenylbutan-1-amine is sourced from PubChem (CID 43206929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).