N-[[4-(2-cyclopropylethoxymethyl)phenyl]methyl]propan-1-amine

C16H25NO — CID 106205738

IUPACN-[[4-(2-cyclopropylethoxymethyl)phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(COCCC2CC2)cc1
InChIInChI=1S/C16H25NO/c1-2-10-17-12-15-5-7-16(8-6-15)13-18-11-9-14-3-4-14/h5-8,14,17H,2-4,9-13H2,1H3
InChIKeyUEDMVOXQVBLGTP-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.50
Rot. Bonds9

About N-[[4-(2-cyclopropylethoxymethyl)phenyl]methyl]propan-1-amine

N-[[4-(2-cyclopropylethoxymethyl)phenyl]methyl]propan-1-amine (PubChem CID 106205738) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-[[4-(2-cyclopropylethoxymethyl)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-(2-cyclopropylethoxymethyl)phenyl]methyl]propan-1-amine
PubChem CID106205738
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-[[4-(2-cyclopropylethoxymethyl)phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccc(COCCC2CC2)cc1
InChIInChI=1S/C16H25NO/c1-2-10-17-12-15-5-7-16(8-6-15)13-18-11-9-14-3-4-14/h5-8,14,17H,2-4,9-13H2,1H3
InChIKeyUEDMVOXQVBLGTP-UHFFFAOYSA-N
XLogP3.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[[4-(2-cyclopropylethoxymethyl)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-[[3-bromo-4-(2-cyclopropylethoxymethyl)phenyl]methyl]propan-1-amine
CID 106205920
2-[4-(2-cyclopropylethoxymethyl)phenyl]-N-methylethanamine
CID 106205912
N-benzyl-2-(2-cyclopropylethoxy)ethanamine
CID 106206256
N-[[4-[(4-bromophenyl)methoxymethyl]phenyl]methyl]propan-1-amine
CID 82808490
N-[[6-(2-cyclobutylethoxymethyl)-2-pyridinyl]methyl]propan-1-amine
CID 106206173
N-[[4-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]phenyl]methyl]propan-1-amine
CID 62455925
N-[[3-[2-(2-cyclobutylethoxy)ethoxy]phenyl]methyl]propan-1-amine
CID 106206080
N-[2-[(4-ethylphenyl)methoxy]ethyl]propan-1-amine
CID 62336871
N-benzyl-2-(2-cyclobutylethoxy)ethanamine
CID 106206343
N-[[4-(methoxymethyl)phenyl]methyl]-2-(1-methylpiperidin-4-yl)ethanamine
CID 115653390
3-[[4-(octoxymethyl)phenyl]methylamino]propylphosphonic acid
CID 10287092
2-cyclopropyl-N-(2-phenylmethoxyethyl)ethanamine
CID 130536828

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-cyclopropylethoxymethyl)phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[4-(2-cyclopropylethoxymethyl)phenyl]methyl]propan-1-amine (CID 106205738) is N-[[4-(2-cyclopropylethoxymethyl)phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-(2-cyclopropylethoxymethyl)phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-(2-cyclopropylethoxymethyl)phenyl]methyl]propan-1-amine is CCCNCc1ccc(COCCC2CC2)cc1.
What is the InChIKey of N-[[4-(2-cyclopropylethoxymethyl)phenyl]methyl]propan-1-amine?
The InChIKey is UEDMVOXQVBLGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-2-10-17-12-15-5-7-16(8-6-15)13-18-11-9-14-3-4-14/h5-8,14,17H,2-4,9-13H2,1H3.
What are the key properties of N-[[4-(2-cyclopropylethoxymethyl)phenyl]methyl]propan-1-amine?
N-[[4-(2-cyclopropylethoxymethyl)phenyl]methyl]propan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.50, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-cyclopropylethoxymethyl)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 106205738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).