1-N-(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)-2-N-methyl-2-N-phenylpropane-1,2-diamine

C24H29N3O — CID 167797981

IUPAC1-N-(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)-2-N-methyl-2-N-phenylpropane-1,2-diamine
SMILESCOc1ccc2nc3c(c(NCC(C)N(C)c4ccccc4)c2c1)CCCC3
InChIInChI=1S/C24H29N3O/c1-17(27(2)18-9-5-4-6-10-18)16-25-24-20-11-7-8-12-22(20)26-23-14-13-19(28-3)15-21(23)24/h4-6,9-10,13-15,17H,7-8,11-12,16H2,1-3H3,(H,25,26)
InChIKeyKPWMHYKANORBOR-UHFFFAOYSA-N
MW375.52 g/mol
LogP5.06
Rot. Bonds6

About 1-N-(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)-2-N-methyl-2-N-phenylpropane-1,2-diamine

1-N-(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)-2-N-methyl-2-N-phenylpropane-1,2-diamine (PubChem CID 167797981) has the molecular formula C24H29N3O and a molecular weight of 375.52 g/mol. Its IUPAC name is 1-N-(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)-2-N-methyl-2-N-phenylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)-2-N-methyl-2-N-phenylpropane-1,2-diamine
PubChem CID167797981
Molecular FormulaC24H29N3O
Molecular Weight375.52 g/mol
Exact Mass375.23
IUPAC Name1-N-(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)-2-N-methyl-2-N-phenylpropane-1,2-diamine
SMILESCOc1ccc2nc3c(c(NCC(C)N(C)c4ccccc4)c2c1)CCCC3
InChIInChI=1S/C24H29N3O/c1-17(27(2)18-9-5-4-6-10-18)16-25-24-20-11-7-8-12-22(20)26-23-14-13-19(28-3)15-21(23)24/h4-6,9-10,13-15,17H,7-8,11-12,16H2,1-3H3,(H,25,26)
InChIKeyKPWMHYKANORBOR-UHFFFAOYSA-N
XLogP5.06
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.52
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-N-(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)-2-N-methyl-2-N-phenylpropane-1,2-diamine with MolForge

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Related Compounds

N-benzyl-7-methoxy-1,2,3,4-tetrahydroacridin-9-amine
CID 10710689
N-(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)hydroxylamine
CID 21192892
N-(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)-N',N'-dimethylpropane-1,3-diamine;hydrochloride
CID 54605075
N-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 110432395
4-[(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)amino]-2,2-dimethylbutan-1-ol
CID 166382730
N-[2-(2-fluoro-4-methoxyphenyl)ethyl]-7-methoxy-1,2,3,4-tetrahydroacridin-9-amine
CID 167913440
N-ethyl-7-phenylmethoxy-1,2,3,4-tetrahydroacridin-9-amine
CID 113232551
N',N'-dibutyl-N-(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)propane-1,3-diamine;phosphoric acid
CID 54601219
9-N-ethyl-2-N,2-N-dimethyl-5,6,7,8-tetrahydroacridine-2,9-diamine
CID 63481210
N-[8-(3,5-dimethoxyphenyl)octyl]-1,2,3,4-tetrahydroacridin-9-amine
CID 166636017
5-hydroxy-2-[2-[(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)amino]ethylamino]naphthalene-1,4-dione
CID 118721628
(2S)-2-amino-3-(1H-indol-3-yl)-N-[8-[(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)amino]octyl]propanamide
CID 155562267

Frequently Asked Questions

What is the IUPAC name of 1-N-(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)-2-N-methyl-2-N-phenylpropane-1,2-diamine?
The IUPAC name of 1-N-(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)-2-N-methyl-2-N-phenylpropane-1,2-diamine (CID 167797981) is 1-N-(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)-2-N-methyl-2-N-phenylpropane-1,2-diamine.
What is the SMILES notation for 1-N-(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)-2-N-methyl-2-N-phenylpropane-1,2-diamine?
The canonical SMILES for 1-N-(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)-2-N-methyl-2-N-phenylpropane-1,2-diamine is COc1ccc2nc3c(c(NCC(C)N(C)c4ccccc4)c2c1)CCCC3.
What is the InChIKey of 1-N-(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)-2-N-methyl-2-N-phenylpropane-1,2-diamine?
The InChIKey is KPWMHYKANORBOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O/c1-17(27(2)18-9-5-4-6-10-18)16-25-24-20-11-7-8-12-22(20)26-23-14-13-19(28-3)15-21(23)24/h4-6,9-10,13-15,17H,7-8,11-12,16H2,1-3H3,(H,25,26).
What are the key properties of 1-N-(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)-2-N-methyl-2-N-phenylpropane-1,2-diamine?
1-N-(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)-2-N-methyl-2-N-phenylpropane-1,2-diamine has a molecular weight of 375.52 g/mol, XLogP of 5.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(7-methoxy-1,2,3,4-tetrahydroacridin-9-yl)-2-N-methyl-2-N-phenylpropane-1,2-diamine is sourced from PubChem (CID 167797981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).