N-[[3-(2,3-dichlorophenyl)phenyl]methyl]propan-2-amine

C16H17Cl2N — CID 63424152

IUPACN-[[3-(2,3-dichlorophenyl)phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1cccc(-c2cccc(Cl)c2Cl)c1
InChIInChI=1S/C16H17Cl2N/c1-11(2)19-10-12-5-3-6-13(9-12)14-7-4-8-15(17)16(14)18/h3-9,11,19H,10H2,1-2H3
InChIKeyNNKOFVIEEDPDAE-UHFFFAOYSA-N
MW294.23 g/mol
LogP5.16
Rot. Bonds4

About N-[[3-(2,3-dichlorophenyl)phenyl]methyl]propan-2-amine

N-[[3-(2,3-dichlorophenyl)phenyl]methyl]propan-2-amine (PubChem CID 63424152) has the molecular formula C16H17Cl2N and a molecular weight of 294.23 g/mol. Its IUPAC name is N-[[3-(2,3-dichlorophenyl)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-(2,3-dichlorophenyl)phenyl]methyl]propan-2-amine
PubChem CID63424152
Molecular FormulaC16H17Cl2N
Molecular Weight294.23 g/mol
Exact Mass293.07
IUPAC NameN-[[3-(2,3-dichlorophenyl)phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1cccc(-c2cccc(Cl)c2Cl)c1
InChIInChI=1S/C16H17Cl2N/c1-11(2)19-10-12-5-3-6-13(9-12)14-7-4-8-15(17)16(14)18/h3-9,11,19H,10H2,1-2H3
InChIKeyNNKOFVIEEDPDAE-UHFFFAOYSA-N
XLogP5.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

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

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Related Compounds

N-[[3-(5-chloro-2-methoxyphenyl)phenyl]methyl]propan-2-amine
CID 61033468
N-[[3-(2,3-difluoro-4-methylphenyl)phenyl]methyl]propan-2-amine
CID 107514100
N-[[3-(2,4-difluoro-5-methylphenyl)phenyl]methyl]propan-2-amine
CID 79732899
N-[(3-quinolin-5-ylphenyl)methyl]propan-2-amine
CID 81230330
4-[3-(2,3-dichlorophenyl)phenyl]butan-2-one
CID 82540744
N-[[3-methyl-4-(3-propylphenyl)phenyl]methyl]propan-2-amine
CID 116545316
1-[3-(2,3-dichlorophenyl)phenyl]-N-ethylpropan-1-amine
CID 63424026
N-[[3-(3-fluoro-4-methylphenyl)phenyl]methyl]propan-2-amine
CID 115502487
N-[[4-methyl-3-(3-methylphenyl)phenyl]methyl]propan-2-amine
CID 105408477
N-[[2-(2,3-dichlorophenoxy)-4-pyridinyl]methyl]propan-2-amine
CID 62298107
N-[[3-[(3-chloro-2-fluorophenyl)methylsulfanyl]phenyl]methyl]propan-2-amine
CID 102861663
N-[[3-(3,4-dichlorophenoxy)phenyl]methyl]propan-2-amine
CID 63944292

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2,3-dichlorophenyl)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[3-(2,3-dichlorophenyl)phenyl]methyl]propan-2-amine (CID 63424152) is N-[[3-(2,3-dichlorophenyl)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-(2,3-dichlorophenyl)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-(2,3-dichlorophenyl)phenyl]methyl]propan-2-amine is CC(C)NCc1cccc(-c2cccc(Cl)c2Cl)c1.
What is the InChIKey of N-[[3-(2,3-dichlorophenyl)phenyl]methyl]propan-2-amine?
The InChIKey is NNKOFVIEEDPDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N/c1-11(2)19-10-12-5-3-6-13(9-12)14-7-4-8-15(17)16(14)18/h3-9,11,19H,10H2,1-2H3.
What are the key properties of N-[[3-(2,3-dichlorophenyl)phenyl]methyl]propan-2-amine?
N-[[3-(2,3-dichlorophenyl)phenyl]methyl]propan-2-amine has a molecular weight of 294.23 g/mol, XLogP of 5.16, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2,3-dichlorophenyl)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 63424152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).