N-[(3,5-dichlorophenyl)methyl]-3-propoxypropan-1-amine

C13H19Cl2NO — CID 82941583

IUPACN-[(3,5-dichlorophenyl)methyl]-3-propoxypropan-1-amine
SMILESCCCOCCCNCc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H19Cl2NO/c1-2-5-17-6-3-4-16-10-11-7-12(14)9-13(15)8-11/h7-9,16H,2-6,10H2,1H3
InChIKeyVXJYRKAZWVYHOH-UHFFFAOYSA-N
MW276.21 g/mol
LogP3.90
Rot. Bonds8

About N-[(3,5-dichlorophenyl)methyl]-3-propoxypropan-1-amine

N-[(3,5-dichlorophenyl)methyl]-3-propoxypropan-1-amine (PubChem CID 82941583) has the molecular formula C13H19Cl2NO and a molecular weight of 276.21 g/mol. Its IUPAC name is N-[(3,5-dichlorophenyl)methyl]-3-propoxypropan-1-amine.

Molecular Properties

Compound NameN-[(3,5-dichlorophenyl)methyl]-3-propoxypropan-1-amine
PubChem CID82941583
Molecular FormulaC13H19Cl2NO
Molecular Weight276.21 g/mol
Exact Mass275.08
IUPAC NameN-[(3,5-dichlorophenyl)methyl]-3-propoxypropan-1-amine
SMILESCCCOCCCNCc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H19Cl2NO/c1-2-5-17-6-3-4-16-10-11-7-12(14)9-13(15)8-11/h7-9,16H,2-6,10H2,1H3
InChIKeyVXJYRKAZWVYHOH-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

N-[(3,5-dimethoxyphenyl)methyl]-3-propoxypropan-1-amine
CID 82939930
N-[(3-chloro-4-methylphenyl)methyl]-3-propoxypropan-1-amine
CID 106817046
3-butoxy-N-[(3,5-dichloro-4-propoxyphenyl)methyl]propan-1-amine
CID 29223105
N-[(2,6-dichlorophenyl)methyl]-3-propoxypropan-1-amine
CID 82940867
3-butoxy-N-[(3,4-dichlorophenyl)methyl]propan-1-amine
CID 17207813
N-[(3-bromo-5-nitrophenyl)methyl]-3-propoxypropan-1-amine
CID 103351003
N-[(3-chlorophenyl)methyl]-3-ethoxypropan-1-amine;hydrochloride
CID 17293862
N-[(5-methyl-3-pyridinyl)methyl]-3-propoxypropan-1-amine
CID 102881006
N-(2,3-dihydro-1H-inden-5-ylmethyl)-3-propoxypropan-1-amine
CID 82943032
N-[(3,5-dichlorophenyl)methyl]-N',N'-dimethylpropane-1,3-diamine
CID 60788789
3-butoxy-N-[(4-chloro-3-fluorophenyl)methyl]propan-1-amine
CID 115595668
N-[(4-methoxy-3-methylphenyl)methyl]-3-propoxypropan-1-amine
CID 82942119

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dichlorophenyl)methyl]-3-propoxypropan-1-amine?
The IUPAC name of N-[(3,5-dichlorophenyl)methyl]-3-propoxypropan-1-amine (CID 82941583) is N-[(3,5-dichlorophenyl)methyl]-3-propoxypropan-1-amine.
What is the SMILES notation for N-[(3,5-dichlorophenyl)methyl]-3-propoxypropan-1-amine?
The canonical SMILES for N-[(3,5-dichlorophenyl)methyl]-3-propoxypropan-1-amine is CCCOCCCNCc1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-[(3,5-dichlorophenyl)methyl]-3-propoxypropan-1-amine?
The InChIKey is VXJYRKAZWVYHOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2NO/c1-2-5-17-6-3-4-16-10-11-7-12(14)9-13(15)8-11/h7-9,16H,2-6,10H2,1H3.
What are the key properties of N-[(3,5-dichlorophenyl)methyl]-3-propoxypropan-1-amine?
N-[(3,5-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-[(3,5-dichlorophenyl)methyl]-3-propoxypropan-1-amine is sourced from PubChem (CID 82941583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).