4-[2-(dimethylamino)-2-phenylethyl]aniline;dihydrochloride

C16H22Cl2N2 — CID 24847056

IUPAC4-[2-(dimethylamino)-2-phenylethyl]aniline;dihydrochloride
SMILESCN(C)C(Cc1ccc(N)cc1)c1ccccc1.Cl.Cl
InChIInChI=1S/C16H20N2.2ClH/c1-18(2)16(14-6-4-3-5-7-14)12-13-8-10-15(17)11-9-13;;/h3-11,16H,12,17H2,1-2H3;2*1H
InChIKeyCMTJFYUMCCQSAJ-UHFFFAOYSA-N
MW313.27 g/mol
LogP3.96
Rot. Bonds4

About 4-[2-(dimethylamino)-2-phenylethyl]aniline;dihydrochloride

4-[2-(dimethylamino)-2-phenylethyl]aniline;dihydrochloride (PubChem CID 24847056) has the molecular formula C16H22Cl2N2 and a molecular weight of 313.27 g/mol. Its IUPAC name is 4-[2-(dimethylamino)-2-phenylethyl]aniline;dihydrochloride.

Molecular Properties

Compound Name4-[2-(dimethylamino)-2-phenylethyl]aniline;dihydrochloride
PubChem CID24847056
Molecular FormulaC16H22Cl2N2
Molecular Weight313.27 g/mol
Exact Mass312.12
IUPAC Name4-[2-(dimethylamino)-2-phenylethyl]aniline;dihydrochloride
SMILESCN(C)C(Cc1ccc(N)cc1)c1ccccc1.Cl.Cl
InChIInChI=1S/C16H20N2.2ClH/c1-18(2)16(14-6-4-3-5-7-14)12-13-8-10-15(17)11-9-13;;/h3-11,16H,12,17H2,1-2H3;2*1H
InChIKeyCMTJFYUMCCQSAJ-UHFFFAOYSA-N
XLogP3.96
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.27
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-2-(4-nitrophenyl)-1-phenylethanamine
CID 3028333
4-[3-(4-aminophenyl)-2-phenylpropyl]aniline
CID 175589044
1-(4-methoxyphenyl)-N,N-dimethyl-2-phenylethanamine
CID 24838118
2-(4-aminophenyl)-N-[2-(dimethylamino)-1-phenylethyl]acetamide;dihydrochloride
CID 119836132
(1S)-N,N,N',N'-tetramethyl-1-phenylethane-1,2-diamine
CID 134927015
N,N-dimethyl-1-phenylpropan-1-amine;ethane
CID 144553481
(2R)-2-(dimethylamino)-2-phenylethanol
CID 10888273
2-amino-N-[2-(dimethylamino)-2-phenylethyl]-3-phenylpropanamide;dihydrochloride
CID 119828732
3-[2-(dimethylamino)-2-phenylethyl]-1H-indol-2-amine
CID 159837555
4-[2-(1-phenylpropan-2-ylamino)ethyl]aniline;hydrochloride
CID 24834584
(1S)-3-chloro-N,N-dimethyl-1-phenylpropan-1-amine
CID 141341786
4-[2-[2-[1-(4-aminophenyl)propan-2-yl]phenyl]propyl]aniline
CID 141439790

Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)-2-phenylethyl]aniline;dihydrochloride?
The IUPAC name of 4-[2-(dimethylamino)-2-phenylethyl]aniline;dihydrochloride (CID 24847056) is 4-[2-(dimethylamino)-2-phenylethyl]aniline;dihydrochloride.
What is the SMILES notation for 4-[2-(dimethylamino)-2-phenylethyl]aniline;dihydrochloride?
The canonical SMILES for 4-[2-(dimethylamino)-2-phenylethyl]aniline;dihydrochloride is CN(C)C(Cc1ccc(N)cc1)c1ccccc1.Cl.Cl.
What is the InChIKey of 4-[2-(dimethylamino)-2-phenylethyl]aniline;dihydrochloride?
The InChIKey is CMTJFYUMCCQSAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2.2ClH/c1-18(2)16(14-6-4-3-5-7-14)12-13-8-10-15(17)11-9-13;;/h3-11,16H,12,17H2,1-2H3;2*1H.
What are the key properties of 4-[2-(dimethylamino)-2-phenylethyl]aniline;dihydrochloride?
4-[2-(dimethylamino)-2-phenylethyl]aniline;dihydrochloride has a molecular weight of 313.27 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)-2-phenylethyl]aniline;dihydrochloride is sourced from PubChem (CID 24847056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).