N-(6-chloro-1-benzothiophen-3-yl)-N-(2,2-dimethylpropyl)pyridin-4-amine;hydrochloride

C18H20Cl2N2S — CID 19014477

IUPACN-(6-chloro-1-benzothiophen-3-yl)-N-(2,2-dimethylpropyl)pyridin-4-amine;hydrochloride
SMILESCC(C)(C)CN(c1ccncc1)c1csc2cc(Cl)ccc12.Cl
InChIInChI=1S/C18H19ClN2S.ClH/c1-18(2,3)12-21(14-6-8-20-9-7-14)16-11-22-17-10-13(19)4-5-15(16)17;/h4-11H,12H2,1-3H3;1H
InChIKeyNMDVEMOXABVPMB-UHFFFAOYSA-N
MW367.35 g/mol
LogP6.56
Rot. Bonds3

About N-(6-chloro-1-benzothiophen-3-yl)-N-(2,2-dimethylpropyl)pyridin-4-amine;hydrochloride

N-(6-chloro-1-benzothiophen-3-yl)-N-(2,2-dimethylpropyl)pyridin-4-amine;hydrochloride (PubChem CID 19014477) has the molecular formula C18H20Cl2N2S and a molecular weight of 367.35 g/mol. Its IUPAC name is N-(6-chloro-1-benzothiophen-3-yl)-N-(2,2-dimethylpropyl)pyridin-4-amine;hydrochloride.

Molecular Properties

Compound NameN-(6-chloro-1-benzothiophen-3-yl)-N-(2,2-dimethylpropyl)pyridin-4-amine;hydrochloride
PubChem CID19014477
Molecular FormulaC18H20Cl2N2S
Molecular Weight367.35 g/mol
Exact Mass366.07
IUPAC NameN-(6-chloro-1-benzothiophen-3-yl)-N-(2,2-dimethylpropyl)pyridin-4-amine;hydrochloride
SMILESCC(C)(C)CN(c1ccncc1)c1csc2cc(Cl)ccc12.Cl
InChIInChI=1S/C18H19ClN2S.ClH/c1-18(2,3)12-21(14-6-8-20-9-7-14)16-11-22-17-10-13(19)4-5-15(16)17;/h4-11H,12H2,1-3H3;1H
InChIKeyNMDVEMOXABVPMB-UHFFFAOYSA-N
XLogP6.56
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.35
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(6-chloro-1-benzothiophen-3-yl)-N-propylpyridin-4-amine;hydrochloride
CID 19360190
N-(6-chloro-1-benzothiophen-3-yl)-N-(cyclopropylmethyl)pyridin-4-amine
CID 19360198
6-chloro-3-(methylsulfanylmethyl)-1-benzothiophene
CID 117178170
6-chloro-3-ethylsulfanyl-1-benzothiophene
CID 174892219
5-chloro-3-(2,2-dimethylpropyl)-1-benzothiophene
CID 21014712
3-[(6-chloro-1-benzothiophen-3-yl)methoxy]pyridine
CID 117178145
1-[4-[3-[(7-chloro-1-benzothiophen-3-yl)-pyridin-4-ylamino]propoxy]-3-methoxyphenyl]ethanone
CID 19360183
N-(4-chloro-1-benzothiophen-3-yl)-N-[3-(6-fluoro-1,2-benzoxazol-3-yl)propyl]pyridin-4-amine
CID 19360176
(Z)-but-2-enedioic acid;6-chloro-N-propyl-N-pyridin-4-yl-1,2-benzoxazol-3-amine
CID 70264594
N,N,N',N'-tetrapyridin-4-ylmethanediamine
CID 102450361
N-(3,4-difluorophenyl)-N-ethylpyridin-4-amine
CID 18005247
2-chloro-N-(2,2-dimethylpropyl)-N-methylpyridin-4-amine
CID 103756761

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-1-benzothiophen-3-yl)-N-(2,2-dimethylpropyl)pyridin-4-amine;hydrochloride?
The IUPAC name of N-(6-chloro-1-benzothiophen-3-yl)-N-(2,2-dimethylpropyl)pyridin-4-amine;hydrochloride (CID 19014477) is N-(6-chloro-1-benzothiophen-3-yl)-N-(2,2-dimethylpropyl)pyridin-4-amine;hydrochloride.
What is the SMILES notation for N-(6-chloro-1-benzothiophen-3-yl)-N-(2,2-dimethylpropyl)pyridin-4-amine;hydrochloride?
The canonical SMILES for N-(6-chloro-1-benzothiophen-3-yl)-N-(2,2-dimethylpropyl)pyridin-4-amine;hydrochloride is CC(C)(C)CN(c1ccncc1)c1csc2cc(Cl)ccc12.Cl.
What is the InChIKey of N-(6-chloro-1-benzothiophen-3-yl)-N-(2,2-dimethylpropyl)pyridin-4-amine;hydrochloride?
The InChIKey is NMDVEMOXABVPMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2S.ClH/c1-18(2,3)12-21(14-6-8-20-9-7-14)16-11-22-17-10-13(19)4-5-15(16)17;/h4-11H,12H2,1-3H3;1H.
What are the key properties of N-(6-chloro-1-benzothiophen-3-yl)-N-(2,2-dimethylpropyl)pyridin-4-amine;hydrochloride?
N-(6-chloro-1-benzothiophen-3-yl)-N-(2,2-dimethylpropyl)pyridin-4-amine;hydrochloride has a molecular weight of 367.35 g/mol, XLogP of 6.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-1-benzothiophen-3-yl)-N-(2,2-dimethylpropyl)pyridin-4-amine;hydrochloride is sourced from PubChem (CID 19014477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).