8-chloro-1-N,1-N-dimethyl-4-N-propan-2-ylisoquinoline-1,4-diamine

C14H18ClN3 — CID 82572449

IUPAC8-chloro-1-N,1-N-dimethyl-4-N-propan-2-ylisoquinoline-1,4-diamine
SMILESCC(C)Nc1cnc(N(C)C)c2c(Cl)cccc12
InChIInChI=1S/C14H18ClN3/c1-9(2)17-12-8-16-14(18(3)4)13-10(12)6-5-7-11(13)15/h5-9,17H,1-4H3
InChIKeyFLTGKJPDQXXUCP-UHFFFAOYSA-N
MW263.77 g/mol
LogP3.77
Rot. Bonds3

About 8-chloro-1-N,1-N-dimethyl-4-N-propan-2-ylisoquinoline-1,4-diamine

8-chloro-1-N,1-N-dimethyl-4-N-propan-2-ylisoquinoline-1,4-diamine (PubChem CID 82572449) has the molecular formula C14H18ClN3 and a molecular weight of 263.77 g/mol. Its IUPAC name is 8-chloro-1-N,1-N-dimethyl-4-N-propan-2-ylisoquinoline-1,4-diamine.

Molecular Properties

Compound Name8-chloro-1-N,1-N-dimethyl-4-N-propan-2-ylisoquinoline-1,4-diamine
PubChem CID82572449
Molecular FormulaC14H18ClN3
Molecular Weight263.77 g/mol
Exact Mass263.12
IUPAC Name8-chloro-1-N,1-N-dimethyl-4-N-propan-2-ylisoquinoline-1,4-diamine
SMILESCC(C)Nc1cnc(N(C)C)c2c(Cl)cccc12
InChIInChI=1S/C14H18ClN3/c1-9(2)17-12-8-16-14(18(3)4)13-10(12)6-5-7-11(13)15/h5-9,17H,1-4H3
InChIKeyFLTGKJPDQXXUCP-UHFFFAOYSA-N
XLogP3.77
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8-chloro-1-N,1-N-dimethyl-4-N-propan-2-ylisoquinoline-1,4-diamine with MolForge

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Related Compounds

2-[[8-chloro-4-(methylamino)isoquinolin-1-yl]-methylamino]ethanol
CID 82572452
7-fluoro-1-N,1-N-dimethyl-4-N-propan-2-ylisoquinoline-1,4-diamine
CID 82572368
2-bromo-3-chloro-N-propan-2-ylaniline
CID 103478632
1-N,1-N-dimethyl-4-N-phenylisoquinoline-1,4-diamine
CID 82572283
4-N-cyclopropyl-5-fluoro-1-N,1-N-dimethylisoquinoline-1,4-diamine
CID 82572357
N-propan-2-ylcinnolin-4-amine
CID 39733520
3-N-[(2,6-dichlorophenyl)methyl]-2-N,2-N-dimethylpyridine-2,3-diamine
CID 43707777
5,6-dichloro-4-(propan-2-ylamino)benzo[e]isoindole-1,3-dione
CID 21332775
3-N-(1,1-difluoropropan-2-yl)-2-N,2-N-dimethylpyridine-2,3-diamine
CID 102868575
1,5-dichloro-4-ethoxyisoquinoline
CID 86683274
N-(2,6-dichlorophenyl)-5-(propan-2-ylamino)pyridine-2-carboxamide
CID 109179818
3-chloro-N-[1-[4-(dimethylamino)phenyl]ethyl]-2-fluoroaniline
CID 43772875

Frequently Asked Questions

What is the IUPAC name of 8-chloro-1-N,1-N-dimethyl-4-N-propan-2-ylisoquinoline-1,4-diamine?
The IUPAC name of 8-chloro-1-N,1-N-dimethyl-4-N-propan-2-ylisoquinoline-1,4-diamine (CID 82572449) is 8-chloro-1-N,1-N-dimethyl-4-N-propan-2-ylisoquinoline-1,4-diamine.
What is the SMILES notation for 8-chloro-1-N,1-N-dimethyl-4-N-propan-2-ylisoquinoline-1,4-diamine?
The canonical SMILES for 8-chloro-1-N,1-N-dimethyl-4-N-propan-2-ylisoquinoline-1,4-diamine is CC(C)Nc1cnc(N(C)C)c2c(Cl)cccc12.
What is the InChIKey of 8-chloro-1-N,1-N-dimethyl-4-N-propan-2-ylisoquinoline-1,4-diamine?
The InChIKey is FLTGKJPDQXXUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3/c1-9(2)17-12-8-16-14(18(3)4)13-10(12)6-5-7-11(13)15/h5-9,17H,1-4H3.
What are the key properties of 8-chloro-1-N,1-N-dimethyl-4-N-propan-2-ylisoquinoline-1,4-diamine?
8-chloro-1-N,1-N-dimethyl-4-N-propan-2-ylisoquinoline-1,4-diamine has a molecular weight of 263.77 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-1-N,1-N-dimethyl-4-N-propan-2-ylisoquinoline-1,4-diamine is sourced from PubChem (CID 82572449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).