N-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)methyl]propan-1-amine

C17H21ClN2 — CID 82451364

IUPACN-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)methyl]propan-1-amine
SMILESCCCNCc1c2c(nc3ccc(Cl)cc13)CCCC2
InChIInChI=1S/C17H21ClN2/c1-2-9-19-11-15-13-5-3-4-6-16(13)20-17-8-7-12(18)10-14(15)17/h7-8,10,19H,2-6,9,11H2,1H3
InChIKeyDMMLEPYPPTYLTN-UHFFFAOYSA-N
MW288.82 g/mol
LogP4.27
Rot. Bonds4

About N-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)methyl]propan-1-amine

N-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)methyl]propan-1-amine (PubChem CID 82451364) has the molecular formula C17H21ClN2 and a molecular weight of 288.82 g/mol. Its IUPAC name is N-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)methyl]propan-1-amine
PubChem CID82451364
Molecular FormulaC17H21ClN2
Molecular Weight288.82 g/mol
Exact Mass288.14
IUPAC NameN-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)methyl]propan-1-amine
SMILESCCCNCc1c2c(nc3ccc(Cl)cc13)CCCC2
InChIInChI=1S/C17H21ClN2/c1-2-9-19-11-15-13-5-3-4-6-16(13)20-17-8-7-12(18)10-14(15)17/h7-8,10,19H,2-6,9,11H2,1H3
InChIKeyDMMLEPYPPTYLTN-UHFFFAOYSA-N
XLogP4.27
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.82
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)methyl]propan-1-amine with MolForge

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Related Compounds

(7-chloro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methanethiol
CID 82451346
N-[(7-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methyl]ethanamine
CID 82450304
7-chloro-N-methyl-1,2,3,4-tetrahydroacridin-9-amine
CID 62202376
2-methoxy-N-[(7-propan-2-yl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methyl]ethanamine
CID 82450542
N-[(7-fluoro-1,2,3,4-tetrahydroacridin-9-yl)methyl]propan-2-amine
CID 82451463
2-methyl-N-[(7-propan-2-yl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)methyl]propan-1-amine
CID 82450539
9-chloro-7-propyl-1,2,3,4-tetrahydroacridine
CID 55188071
7-chloro-N-(3-ethylphenyl)-1,2,3,4-tetrahydroacridin-9-amine
CID 20858368
N-[(5,6-dimethyl-1,2,3,4-tetrahydroacridin-9-yl)methyl]butan-1-amine
CID 82450662
N-[(7-propan-2-yl-1,2,3,4-tetrahydroacridin-9-yl)methyl]butan-2-amine
CID 82450571
6-chloro-N-hexyl-1,2,3,4-tetrahydroacridin-9-amine
CID 51040023
6-chloro-N-decyl-1,2,3,4-tetrahydroacridin-9-amine
CID 71661697

Frequently Asked Questions

What is the IUPAC name of N-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)methyl]propan-1-amine?
The IUPAC name of N-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)methyl]propan-1-amine (CID 82451364) is N-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)methyl]propan-1-amine is CCCNCc1c2c(nc3ccc(Cl)cc13)CCCC2.
What is the InChIKey of N-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)methyl]propan-1-amine?
The InChIKey is DMMLEPYPPTYLTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2/c1-2-9-19-11-15-13-5-3-4-6-16(13)20-17-8-7-12(18)10-14(15)17/h7-8,10,19H,2-6,9,11H2,1H3.
What are the key properties of N-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)methyl]propan-1-amine?
N-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)methyl]propan-1-amine has a molecular weight of 288.82 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-chloro-1,2,3,4-tetrahydroacridin-9-yl)methyl]propan-1-amine is sourced from PubChem (CID 82451364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).