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

C13H19Cl2NO — CID 103844872

IUPACN-[(2,5-dichlorophenyl)methyl]-3-propan-2-yloxypropan-1-amine
SMILESCC(C)OCCCNCc1cc(Cl)ccc1Cl
InChIInChI=1S/C13H19Cl2NO/c1-10(2)17-7-3-6-16-9-11-8-12(14)4-5-13(11)15/h4-5,8,10,16H,3,6-7,9H2,1-2H3
InChIKeyMDOASSXRVWCXKK-UHFFFAOYSA-N
MW276.21 g/mol
LogP3.90
Rot. Bonds7

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

N-[(2,5-dichlorophenyl)methyl]-3-propan-2-yloxypropan-1-amine (PubChem CID 103844872) has the molecular formula C13H19Cl2NO and a molecular weight of 276.21 g/mol. Its IUPAC name is N-[(2,5-dichlorophenyl)methyl]-3-propan-2-yloxypropan-1-amine.

Molecular Properties

Compound NameN-[(2,5-dichlorophenyl)methyl]-3-propan-2-yloxypropan-1-amine
PubChem CID103844872
Molecular FormulaC13H19Cl2NO
Molecular Weight276.21 g/mol
Exact Mass275.08
IUPAC NameN-[(2,5-dichlorophenyl)methyl]-3-propan-2-yloxypropan-1-amine
SMILESCC(C)OCCCNCc1cc(Cl)ccc1Cl
InChIInChI=1S/C13H19Cl2NO/c1-10(2)17-7-3-6-16-9-11-8-12(14)4-5-13(11)15/h4-5,8,10,16H,3,6-7,9H2,1-2H3
InChIKeyMDOASSXRVWCXKK-UHFFFAOYSA-N
XLogP3.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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

4-chloro-2-[(3-propan-2-yloxypropylamino)methyl]phenol
CID 28726847
N-[(2,5-dichlorophenyl)methyl]-4-methylpentan-1-amine
CID 65316170
N-[(4-chlorophenyl)methyl]-3-propan-2-yloxypropan-1-amine;hydrochloride
CID 17206435
N-[(3,5-dichloro-2-ethoxyphenyl)methyl]-3-propan-2-yloxypropan-1-amine
CID 17209034
N-[(5-bromo-2-chlorophenyl)methyl]-2-propan-2-yloxyethanamine
CID 104588161
N-[(2,5-dichlorophenyl)methyl]-2-(3-methylbutoxy)ethanamine
CID 65316391
N-[(2,5-dichlorophenyl)methyl]-3-fluoropropan-1-amine
CID 115762676
N-[(5-bromo-2-fluorophenyl)methyl]-3-propan-2-yloxypropan-1-amine
CID 28726559
3-(cyclopropylmethoxy)-N-[(2,5-dichlorophenyl)methyl]propan-1-amine
CID 103844888
N-[(2,4-difluorophenyl)methyl]-3-propan-2-yloxypropan-1-amine
CID 28726567
N'-tert-butyl-N-[(2,5-dichlorophenyl)methyl]propane-1,3-diamine
CID 113410442
N-[[2-[(2-chlorophenyl)methoxy]phenyl]methyl]-3-propan-2-yloxypropan-1-amine;hydrochloride
CID 17208807

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dichlorophenyl)methyl]-3-propan-2-yloxypropan-1-amine?
The IUPAC name of N-[(2,5-dichlorophenyl)methyl]-3-propan-2-yloxypropan-1-amine (CID 103844872) is N-[(2,5-dichlorophenyl)methyl]-3-propan-2-yloxypropan-1-amine.
What is the SMILES notation for N-[(2,5-dichlorophenyl)methyl]-3-propan-2-yloxypropan-1-amine?
The canonical SMILES for N-[(2,5-dichlorophenyl)methyl]-3-propan-2-yloxypropan-1-amine is CC(C)OCCCNCc1cc(Cl)ccc1Cl.
What is the InChIKey of N-[(2,5-dichlorophenyl)methyl]-3-propan-2-yloxypropan-1-amine?
The InChIKey is MDOASSXRVWCXKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2NO/c1-10(2)17-7-3-6-16-9-11-8-12(14)4-5-13(11)15/h4-5,8,10,16H,3,6-7,9H2,1-2H3.
What are the key properties of N-[(2,5-dichlorophenyl)methyl]-3-propan-2-yloxypropan-1-amine?
N-[(2,5-dichlorophenyl)methyl]-3-propan-2-yloxypropan-1-amine has a molecular weight of 276.21 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dichlorophenyl)methyl]-3-propan-2-yloxypropan-1-amine is sourced from PubChem (CID 103844872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).