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

C16H17Cl2N — CID 63424612

IUPACN-[[2-(2,5-dichlorophenyl)phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccccc1-c1cc(Cl)ccc1Cl
InChIInChI=1S/C16H17Cl2N/c1-2-9-19-11-12-5-3-4-6-14(12)15-10-13(17)7-8-16(15)18/h3-8,10,19H,2,9,11H2,1H3
InChIKeyMDPZVYJRCLMRRR-UHFFFAOYSA-N
MW294.23 g/mol
LogP5.16
Rot. Bonds5

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

N-[[2-(2,5-dichlorophenyl)phenyl]methyl]propan-1-amine (PubChem CID 63424612) has the molecular formula C16H17Cl2N and a molecular weight of 294.23 g/mol. Its IUPAC name is N-[[2-(2,5-dichlorophenyl)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(2,5-dichlorophenyl)phenyl]methyl]propan-1-amine
PubChem CID63424612
Molecular FormulaC16H17Cl2N
Molecular Weight294.23 g/mol
Exact Mass293.07
IUPAC NameN-[[2-(2,5-dichlorophenyl)phenyl]methyl]propan-1-amine
SMILESCCCNCc1ccccc1-c1cc(Cl)ccc1Cl
InChIInChI=1S/C16H17Cl2N/c1-2-9-19-11-12-5-3-4-6-14(12)15-10-13(17)7-8-16(15)18/h3-8,10,19H,2,9,11H2,1H3
InChIKeyMDPZVYJRCLMRRR-UHFFFAOYSA-N
XLogP5.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.23
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-chloro-2-(2-chloro-5-fluorophenyl)phenyl]methyl]propan-1-amine
CID 105395768
N-[[5-chloro-2-(2-chloro-5-fluorophenyl)phenyl]methyl]propan-1-amine
CID 105395708
N-[[2-(2,3-dichlorophenyl)phenyl]methyl]propan-1-amine
CID 63424188
N-[[2-(2,5-dichlorophenoxy)phenyl]methyl]propan-1-amine
CID 43282683
N-[[4-chloro-2-(3-chloro-4-methylphenyl)phenyl]methyl]propan-1-amine
CID 115504137
N-[[2-(2,4-dichlorophenoxy)phenyl]methyl]propan-1-amine
CID 43283282
N-[[2-(2,4-dimethylphenyl)phenyl]methyl]propan-1-amine
CID 55110548
N-[[5-(2,5-dichlorophenyl)furan-2-yl]methyl]propan-1-amine
CID 4723557
N-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methyl]propan-1-amine;hydrochloride
CID 17290924
N-[[4-chloro-2-(2-chlorophenyl)sulfanylphenyl]methyl]propan-1-amine
CID 114864012
N-[[5-(2-chlorophenyl)-1,2-oxazol-4-yl]methyl]propan-1-amine
CID 65239880
N-[[2-(4-chloro-2-methylphenoxy)phenyl]methyl]propan-1-amine
CID 43283414

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,5-dichlorophenyl)phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(2,5-dichlorophenyl)phenyl]methyl]propan-1-amine (CID 63424612) is N-[[2-(2,5-dichlorophenyl)phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(2,5-dichlorophenyl)phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(2,5-dichlorophenyl)phenyl]methyl]propan-1-amine is CCCNCc1ccccc1-c1cc(Cl)ccc1Cl.
What is the InChIKey of N-[[2-(2,5-dichlorophenyl)phenyl]methyl]propan-1-amine?
The InChIKey is MDPZVYJRCLMRRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N/c1-2-9-19-11-12-5-3-4-6-14(12)15-10-13(17)7-8-16(15)18/h3-8,10,19H,2,9,11H2,1H3.
What are the key properties of N-[[2-(2,5-dichlorophenyl)phenyl]methyl]propan-1-amine?
N-[[2-(2,5-dichlorophenyl)phenyl]methyl]propan-1-amine has a molecular weight of 294.23 g/mol, XLogP of 5.16, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,5-dichlorophenyl)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 63424612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).