N-[(2,6-dichlorophenyl)methyl]-3-propoxypropan-1-amine

C13H19Cl2NO — CID 82940867

IUPACN-[(2,6-dichlorophenyl)methyl]-3-propoxypropan-1-amine
SMILESCCCOCCCNCc1c(Cl)cccc1Cl
InChIInChI=1S/C13H19Cl2NO/c1-2-8-17-9-4-7-16-10-11-12(14)5-3-6-13(11)15/h3,5-6,16H,2,4,7-10H2,1H3
InChIKeyRMXYNWBWRLMTJZ-UHFFFAOYSA-N
MW276.21 g/mol
LogP3.90
Rot. Bonds8

About N-[(2,6-dichlorophenyl)methyl]-3-propoxypropan-1-amine

N-[(2,6-dichlorophenyl)methyl]-3-propoxypropan-1-amine (PubChem CID 82940867) has the molecular formula C13H19Cl2NO and a molecular weight of 276.21 g/mol. Its IUPAC name is N-[(2,6-dichlorophenyl)methyl]-3-propoxypropan-1-amine.

Molecular Properties

Compound NameN-[(2,6-dichlorophenyl)methyl]-3-propoxypropan-1-amine
PubChem CID82940867
Molecular FormulaC13H19Cl2NO
Molecular Weight276.21 g/mol
Exact Mass275.08
IUPAC NameN-[(2,6-dichlorophenyl)methyl]-3-propoxypropan-1-amine
SMILESCCCOCCCNCc1c(Cl)cccc1Cl
InChIInChI=1S/C13H19Cl2NO/c1-2-8-17-9-4-7-16-10-11-12(14)5-3-6-13(11)15/h3,5-6,16H,2,4,7-10H2,1H3
InChIKeyRMXYNWBWRLMTJZ-UHFFFAOYSA-N
XLogP3.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.21
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-2-[[3-(2-methoxyethoxy)propylamino]methyl]phenol
CID 78959669
N-[(2,6-dichlorophenyl)methyl]propan-1-amine;hydrochloride
CID 17290865
3-butoxy-N-[(3-chloro-2-fluorophenyl)methyl]propan-1-amine
CID 115695701
N-[(2-chloro-3-fluorophenyl)methyl]-3-propoxypropan-1-amine
CID 112652222
2-[3-[(2-chloro-6-fluorophenyl)methylamino]propoxy]ethanol
CID 103992408
N-[(3-chloro-4-methylphenyl)methyl]-3-propoxypropan-1-amine
CID 106817046
N-[(3,5-dichlorophenyl)methyl]-3-propoxypropan-1-amine
CID 82941583
3-propoxy-N-(thiophen-2-ylmethyl)propan-1-amine
CID 62715454
3-propoxy-N-(1H-pyrrol-2-ylmethyl)propan-1-amine
CID 82941247
N-[(2,3-dichlorophenyl)methyl]-3-(2-methoxyethoxy)propan-1-amine
CID 28721775
N-[(2-chloro-6-propoxyphenyl)methyl]-2-methoxyethanamine
CID 114320190
N-[(2-chloro-6-octoxyphenyl)methyl]propan-1-amine
CID 114319420

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dichlorophenyl)methyl]-3-propoxypropan-1-amine?
The IUPAC name of N-[(2,6-dichlorophenyl)methyl]-3-propoxypropan-1-amine (CID 82940867) is N-[(2,6-dichlorophenyl)methyl]-3-propoxypropan-1-amine.
What is the SMILES notation for N-[(2,6-dichlorophenyl)methyl]-3-propoxypropan-1-amine?
The canonical SMILES for N-[(2,6-dichlorophenyl)methyl]-3-propoxypropan-1-amine is CCCOCCCNCc1c(Cl)cccc1Cl.
What is the InChIKey of N-[(2,6-dichlorophenyl)methyl]-3-propoxypropan-1-amine?
The InChIKey is RMXYNWBWRLMTJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2NO/c1-2-8-17-9-4-7-16-10-11-12(14)5-3-6-13(11)15/h3,5-6,16H,2,4,7-10H2,1H3.
What are the key properties of N-[(2,6-dichlorophenyl)methyl]-3-propoxypropan-1-amine?
N-[(2,6-dichlorophenyl)methyl]-3-propoxypropan-1-amine has a molecular weight of 276.21 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 N-[(2,6-dichlorophenyl)methyl]-3-propoxypropan-1-amine is sourced from PubChem (CID 82940867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).