3-(cyclopropylmethoxy)-N-[(2,5-dichlorophenyl)methyl]propan-1-amine

C14H19Cl2NO — CID 103844888

IUPAC3-(cyclopropylmethoxy)-N-[(2,5-dichlorophenyl)methyl]propan-1-amine
SMILESClc1ccc(Cl)c(CNCCCOCC2CC2)c1
InChIInChI=1S/C14H19Cl2NO/c15-13-4-5-14(16)12(8-13)9-17-6-1-7-18-10-11-2-3-11/h4-5,8,11,17H,1-3,6-7,9-10H2
InChIKeyNDUJDZVDXSDAED-UHFFFAOYSA-N
MW288.22 g/mol
LogP3.90
Rot. Bonds8

About 3-(cyclopropylmethoxy)-N-[(2,5-dichlorophenyl)methyl]propan-1-amine

3-(cyclopropylmethoxy)-N-[(2,5-dichlorophenyl)methyl]propan-1-amine (PubChem CID 103844888) has the molecular formula C14H19Cl2NO and a molecular weight of 288.22 g/mol. Its IUPAC name is 3-(cyclopropylmethoxy)-N-[(2,5-dichlorophenyl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-(cyclopropylmethoxy)-N-[(2,5-dichlorophenyl)methyl]propan-1-amine
PubChem CID103844888
Molecular FormulaC14H19Cl2NO
Molecular Weight288.22 g/mol
Exact Mass287.08
IUPAC Name3-(cyclopropylmethoxy)-N-[(2,5-dichlorophenyl)methyl]propan-1-amine
SMILESClc1ccc(Cl)c(CNCCCOCC2CC2)c1
InChIInChI=1S/C14H19Cl2NO/c15-13-4-5-14(16)12(8-13)9-17-6-1-7-18-10-11-2-3-11/h4-5,8,11,17H,1-3,6-7,9-10H2
InChIKeyNDUJDZVDXSDAED-UHFFFAOYSA-N
XLogP3.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.22
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(cyclopropylmethoxy)-N-[(2,5-dichlorophenyl)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

3-(cyclopropylmethoxy)-N-[(2-fluoro-5-methylphenyl)methyl]propan-1-amine
CID 113237530
N-[(2,5-dichlorophenyl)methyl]-3-propan-2-yloxypropan-1-amine
CID 103844872
N-[(2,4-dichlorophenyl)methyl]-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 43081326
N-[(2,5-dichlorophenyl)methyl]-3-fluoropropan-1-amine
CID 115762676
N-[(4-chlorophenyl)methyl]-2-(cyclopropylmethoxy)ethanamine
CID 103653224
1-[3-(cyclopropylmethoxy)propyl]-3-[(2,4-dichlorophenyl)methyl]-2-methylguanidine;hydroiodide
CID 111197715
2-[[3-(cyclopropylmethoxy)propylamino]methyl]-4-fluorophenol
CID 103948001
N-[(3-chlorophenyl)methyl]-2-(cyclopropylmethoxy)ethanamine;hydrochloride
CID 115618387
N-[(2,5-dichlorophenyl)methyl]pent-4-yn-1-amine
CID 103845120
N-[(2,5-dichlorophenyl)methyl]-4-methylpentan-1-amine
CID 65316170
N-(5-chloro-2-methylphenyl)-2-[3-(cyclopropylmethoxy)propylamino]acetamide
CID 103603858
5-chloro-N-[3-(cyclopropylmethoxy)propyl]-2,3-dihydro-1H-inden-2-amine
CID 81300280

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethoxy)-N-[(2,5-dichlorophenyl)methyl]propan-1-amine?
The IUPAC name of 3-(cyclopropylmethoxy)-N-[(2,5-dichlorophenyl)methyl]propan-1-amine (CID 103844888) is 3-(cyclopropylmethoxy)-N-[(2,5-dichlorophenyl)methyl]propan-1-amine.
What is the SMILES notation for 3-(cyclopropylmethoxy)-N-[(2,5-dichlorophenyl)methyl]propan-1-amine?
The canonical SMILES for 3-(cyclopropylmethoxy)-N-[(2,5-dichlorophenyl)methyl]propan-1-amine is Clc1ccc(Cl)c(CNCCCOCC2CC2)c1.
What is the InChIKey of 3-(cyclopropylmethoxy)-N-[(2,5-dichlorophenyl)methyl]propan-1-amine?
The InChIKey is NDUJDZVDXSDAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NO/c15-13-4-5-14(16)12(8-13)9-17-6-1-7-18-10-11-2-3-11/h4-5,8,11,17H,1-3,6-7,9-10H2.
What are the key properties of 3-(cyclopropylmethoxy)-N-[(2,5-dichlorophenyl)methyl]propan-1-amine?
3-(cyclopropylmethoxy)-N-[(2,5-dichlorophenyl)methyl]propan-1-amine has a molecular weight of 288.22 g/mol, XLogP of 3.90, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethoxy)-N-[(2,5-dichlorophenyl)methyl]propan-1-amine is sourced from PubChem (CID 103844888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).