3-chloro-N-[(1-ethyl-4,5-dihydroimidazol-2-yl)methyl]-N,2-dimethylaniline;hydrochloride

C14H21Cl2N3 — CID 67899901

IUPAC3-chloro-N-[(1-ethyl-4,5-dihydroimidazol-2-yl)methyl]-N,2-dimethylaniline;hydrochloride
SMILESCCN1CCN=C1CN(C)c1cccc(Cl)c1C.Cl
InChIInChI=1S/C14H20ClN3.ClH/c1-4-18-9-8-16-14(18)10-17(3)13-7-5-6-12(15)11(13)2;/h5-7H,4,8-10H2,1-3H3;1H
InChIKeyUFWOGSYEEQHEKN-UHFFFAOYSA-N
MW302.25 g/mol
LogP3.24
Rot. Bonds4

About 3-chloro-N-[(1-ethyl-4,5-dihydroimidazol-2-yl)methyl]-N,2-dimethylaniline;hydrochloride

3-chloro-N-[(1-ethyl-4,5-dihydroimidazol-2-yl)methyl]-N,2-dimethylaniline;hydrochloride (PubChem CID 67899901) has the molecular formula C14H21Cl2N3 and a molecular weight of 302.25 g/mol. Its IUPAC name is 3-chloro-N-[(1-ethyl-4,5-dihydroimidazol-2-yl)methyl]-N,2-dimethylaniline;hydrochloride.

Molecular Properties

Compound Name3-chloro-N-[(1-ethyl-4,5-dihydroimidazol-2-yl)methyl]-N,2-dimethylaniline;hydrochloride
PubChem CID67899901
Molecular FormulaC14H21Cl2N3
Molecular Weight302.25 g/mol
Exact Mass301.11
IUPAC Name3-chloro-N-[(1-ethyl-4,5-dihydroimidazol-2-yl)methyl]-N,2-dimethylaniline;hydrochloride
SMILESCCN1CCN=C1CN(C)c1cccc(Cl)c1C.Cl
InChIInChI=1S/C14H20ClN3.ClH/c1-4-18-9-8-16-14(18)10-17(3)13-7-5-6-12(15)11(13)2;/h5-7H,4,8-10H2,1-3H3;1H
InChIKeyUFWOGSYEEQHEKN-UHFFFAOYSA-N
XLogP3.24
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.25
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 123602210
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CID 19889679
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3-N-(3-chloro-2-methylphenyl)-3-N-methylbutane-1,3-diamine
CID 82115193
1-(2-chloro-3-methylphenyl)-1-(1-ethyl-4,5-dihydroimidazol-2-yl)ethanamine
CID 56996010
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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(1-ethyl-4,5-dihydroimidazol-2-yl)methyl]-N,2-dimethylaniline;hydrochloride?
The IUPAC name of 3-chloro-N-[(1-ethyl-4,5-dihydroimidazol-2-yl)methyl]-N,2-dimethylaniline;hydrochloride (CID 67899901) is 3-chloro-N-[(1-ethyl-4,5-dihydroimidazol-2-yl)methyl]-N,2-dimethylaniline;hydrochloride.
What is the SMILES notation for 3-chloro-N-[(1-ethyl-4,5-dihydroimidazol-2-yl)methyl]-N,2-dimethylaniline;hydrochloride?
The canonical SMILES for 3-chloro-N-[(1-ethyl-4,5-dihydroimidazol-2-yl)methyl]-N,2-dimethylaniline;hydrochloride is CCN1CCN=C1CN(C)c1cccc(Cl)c1C.Cl.
What is the InChIKey of 3-chloro-N-[(1-ethyl-4,5-dihydroimidazol-2-yl)methyl]-N,2-dimethylaniline;hydrochloride?
The InChIKey is UFWOGSYEEQHEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3.ClH/c1-4-18-9-8-16-14(18)10-17(3)13-7-5-6-12(15)11(13)2;/h5-7H,4,8-10H2,1-3H3;1H.
What are the key properties of 3-chloro-N-[(1-ethyl-4,5-dihydroimidazol-2-yl)methyl]-N,2-dimethylaniline;hydrochloride?
3-chloro-N-[(1-ethyl-4,5-dihydroimidazol-2-yl)methyl]-N,2-dimethylaniline;hydrochloride has a molecular weight of 302.25 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(1-ethyl-4,5-dihydroimidazol-2-yl)methyl]-N,2-dimethylaniline;hydrochloride is sourced from PubChem (CID 67899901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).