N-[(2,3-dichlorophenyl)methyl]-4-methylaniline;hydrochloride

C14H14Cl3N — CID 47023748

IUPACN-[(2,3-dichlorophenyl)methyl]-4-methylaniline;hydrochloride
SMILESCc1ccc(NCc2cccc(Cl)c2Cl)cc1.Cl
InChIInChI=1S/C14H13Cl2N.ClH/c1-10-5-7-12(8-6-10)17-9-11-3-2-4-13(15)14(11)16;/h2-8,17H,9H2,1H3;1H
InChIKeyGJAODSAOUPDPFF-UHFFFAOYSA-N
MW302.63 g/mol
LogP5.34
Rot. Bonds3

About N-[(2,3-dichlorophenyl)methyl]-4-methylaniline;hydrochloride

N-[(2,3-dichlorophenyl)methyl]-4-methylaniline;hydrochloride (PubChem CID 47023748) has the molecular formula C14H14Cl3N and a molecular weight of 302.63 g/mol. Its IUPAC name is N-[(2,3-dichlorophenyl)methyl]-4-methylaniline;hydrochloride.

Molecular Properties

Compound NameN-[(2,3-dichlorophenyl)methyl]-4-methylaniline;hydrochloride
PubChem CID47023748
Molecular FormulaC14H14Cl3N
Molecular Weight302.63 g/mol
Exact Mass301.02
IUPAC NameN-[(2,3-dichlorophenyl)methyl]-4-methylaniline;hydrochloride
SMILESCc1ccc(NCc2cccc(Cl)c2Cl)cc1.Cl
InChIInChI=1S/C14H13Cl2N.ClH/c1-10-5-7-12(8-6-10)17-9-11-3-2-4-13(15)14(11)16;/h2-8,17H,9H2,1H3;1H
InChIKeyGJAODSAOUPDPFF-UHFFFAOYSA-N
XLogP5.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.63
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 17293607
4-chloro-N-[(2,3-dichlorophenyl)methyl]-3-(trifluoromethyl)aniline
CID 43245776
2-[[4-(4-methylphenyl)anilino]methyl]phenol
CID 122182729
N-[(2,3-dichlorophenyl)methyl]-3-ethynylaniline
CID 29053249
N-[(2,3-dichlorophenyl)methyl]-2,2-difluoro-1,3-benzodioxol-5-amine
CID 29031116
N-[(2,3-dichlorophenyl)methyl]-4-methylpyridin-3-amine
CID 63329830
2-(chloromethyl)-N-[(2,3-dichlorophenyl)methyl]aniline
CID 107309995
N-[(2,3-dimethoxyphenyl)methyl]-4-methylaniline
CID 4143681
N-[(2,3-dichlorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-amine
CID 43732600
N-[(2,3-dichlorophenyl)methyl]cyclopropanamine;hydrochloride
CID 46835187
4-[(2-chlorophenyl)methylamino]phenol
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N-[(2-chlorophenyl)methyl]-4-iodoaniline
CID 28878735

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dichlorophenyl)methyl]-4-methylaniline;hydrochloride?
The IUPAC name of N-[(2,3-dichlorophenyl)methyl]-4-methylaniline;hydrochloride (CID 47023748) is N-[(2,3-dichlorophenyl)methyl]-4-methylaniline;hydrochloride.
What is the SMILES notation for N-[(2,3-dichlorophenyl)methyl]-4-methylaniline;hydrochloride?
The canonical SMILES for N-[(2,3-dichlorophenyl)methyl]-4-methylaniline;hydrochloride is Cc1ccc(NCc2cccc(Cl)c2Cl)cc1.Cl.
What is the InChIKey of N-[(2,3-dichlorophenyl)methyl]-4-methylaniline;hydrochloride?
The InChIKey is GJAODSAOUPDPFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N.ClH/c1-10-5-7-12(8-6-10)17-9-11-3-2-4-13(15)14(11)16;/h2-8,17H,9H2,1H3;1H.
What are the key properties of N-[(2,3-dichlorophenyl)methyl]-4-methylaniline;hydrochloride?
N-[(2,3-dichlorophenyl)methyl]-4-methylaniline;hydrochloride has a molecular weight of 302.63 g/mol, XLogP of 5.34, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dichlorophenyl)methyl]-4-methylaniline;hydrochloride is sourced from PubChem (CID 47023748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).