N-[(5-chloro-1,2,3,4-tetrahydroacridin-9-yl)methyl]ethanamine

C16H19ClN2 — CID 82451207

IUPACN-[(5-chloro-1,2,3,4-tetrahydroacridin-9-yl)methyl]ethanamine
SMILESCCNCc1c2c(nc3c(Cl)cccc13)CCCC2
InChIInChI=1S/C16H19ClN2/c1-2-18-10-13-11-6-3-4-9-15(11)19-16-12(13)7-5-8-14(16)17/h5,7-8,18H,2-4,6,9-10H2,1H3
InChIKeyRBCHVYPDCDCAHI-UHFFFAOYSA-N
MW274.79 g/mol
LogP3.88
Rot. Bonds3

About N-[(5-chloro-1,2,3,4-tetrahydroacridin-9-yl)methyl]ethanamine

N-[(5-chloro-1,2,3,4-tetrahydroacridin-9-yl)methyl]ethanamine (PubChem CID 82451207) has the molecular formula C16H19ClN2 and a molecular weight of 274.79 g/mol. Its IUPAC name is N-[(5-chloro-1,2,3,4-tetrahydroacridin-9-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-chloro-1,2,3,4-tetrahydroacridin-9-yl)methyl]ethanamine
PubChem CID82451207
Molecular FormulaC16H19ClN2
Molecular Weight274.79 g/mol
Exact Mass274.12
IUPAC NameN-[(5-chloro-1,2,3,4-tetrahydroacridin-9-yl)methyl]ethanamine
SMILESCCNCc1c2c(nc3c(Cl)cccc13)CCCC2
InChIInChI=1S/C16H19ClN2/c1-2-18-10-13-11-6-3-4-9-15(11)19-16-12(13)7-5-8-14(16)17/h5,7-8,18H,2-4,6,9-10H2,1H3
InChIKeyRBCHVYPDCDCAHI-UHFFFAOYSA-N
XLogP3.88
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.79
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-propan-2-yl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methyl]ethanamine
CID 82450215
3-(5-chloro-1,2,3,4-tetrahydroacridin-9-yl)propanoic acid
CID 82451226
2-methyl-N-[(5-methyl-1,2,3,4-tetrahydroacridin-9-yl)methyl]propan-1-amine
CID 82450020
N-[(5-ethyl-1,2,3,4-tetrahydroacridin-9-yl)methyl]-2-methylpropan-1-amine
CID 82450145
5-chloro-1,2,3,4-tetrahydroacridine-9-carbothioamide
CID 82451215
N-[(5,6-dimethyl-1,2,3,4-tetrahydroacridin-9-yl)methyl]butan-1-amine
CID 82450662
N-[(7-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methyl]ethanamine
CID 82450304
N-[(5-fluoro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methyl]-2-methoxyethanamine
CID 82451066
N-[(5-methoxy-1,2,3,4-tetrahydroacridin-9-yl)methyl]propan-2-amine
CID 82451889
(6-chloro-5-methyl-1,2,3,4-tetrahydroacridin-9-yl)methanol
CID 82451718
9-(chloromethyl)-5-ethyl-2,3-dihydro-1H-cyclopenta[b]quinoline
CID 82450114
N-[(2,6-dichlorophenyl)methyl]ethanamine;hydrochloride
CID 17290765

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-1,2,3,4-tetrahydroacridin-9-yl)methyl]ethanamine?
The IUPAC name of N-[(5-chloro-1,2,3,4-tetrahydroacridin-9-yl)methyl]ethanamine (CID 82451207) is N-[(5-chloro-1,2,3,4-tetrahydroacridin-9-yl)methyl]ethanamine.
What is the SMILES notation for N-[(5-chloro-1,2,3,4-tetrahydroacridin-9-yl)methyl]ethanamine?
The canonical SMILES for N-[(5-chloro-1,2,3,4-tetrahydroacridin-9-yl)methyl]ethanamine is CCNCc1c2c(nc3c(Cl)cccc13)CCCC2.
What is the InChIKey of N-[(5-chloro-1,2,3,4-tetrahydroacridin-9-yl)methyl]ethanamine?
The InChIKey is RBCHVYPDCDCAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2/c1-2-18-10-13-11-6-3-4-9-15(11)19-16-12(13)7-5-8-14(16)17/h5,7-8,18H,2-4,6,9-10H2,1H3.
What are the key properties of N-[(5-chloro-1,2,3,4-tetrahydroacridin-9-yl)methyl]ethanamine?
N-[(5-chloro-1,2,3,4-tetrahydroacridin-9-yl)methyl]ethanamine has a molecular weight of 274.79 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-1,2,3,4-tetrahydroacridin-9-yl)methyl]ethanamine is sourced from PubChem (CID 82451207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).