(3S)-1-(7-phenyl-1,2,3,4-tetrahydroacridin-9-yl)pyrrolidin-3-amine

C23H25N3 — CID 175429789

IUPAC(3S)-1-(7-phenyl-1,2,3,4-tetrahydroacridin-9-yl)pyrrolidin-3-amine
SMILESN[C@H]1CCN(c2c3c(nc4ccc(-c5ccccc5)cc24)CCCC3)C1
InChIInChI=1S/C23H25N3/c24-18-12-13-26(15-18)23-19-8-4-5-9-21(19)25-22-11-10-17(14-20(22)23)16-6-2-1-3-7-16/h1-3,6-7,10-11,14,18H,4-5,8-9,12-13,15,24H2/t18-/m0/s1
InChIKeyJDQKFEPRCUFBRZ-SFHVURJKSA-N
MW343.47 g/mol
LogP4.32
Rot. Bonds2

About (3S)-1-(7-phenyl-1,2,3,4-tetrahydroacridin-9-yl)pyrrolidin-3-amine

(3S)-1-(7-phenyl-1,2,3,4-tetrahydroacridin-9-yl)pyrrolidin-3-amine (PubChem CID 175429789) has the molecular formula C23H25N3 and a molecular weight of 343.47 g/mol. Its IUPAC name is (3S)-1-(7-phenyl-1,2,3,4-tetrahydroacridin-9-yl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-1-(7-phenyl-1,2,3,4-tetrahydroacridin-9-yl)pyrrolidin-3-amine
PubChem CID175429789
Molecular FormulaC23H25N3
Molecular Weight343.47 g/mol
Exact Mass343.20
IUPAC Name(3S)-1-(7-phenyl-1,2,3,4-tetrahydroacridin-9-yl)pyrrolidin-3-amine
SMILESN[C@H]1CCN(c2c3c(nc4ccc(-c5ccccc5)cc24)CCCC3)C1
InChIInChI=1S/C23H25N3/c24-18-12-13-26(15-18)23-19-8-4-5-9-21(19)25-22-11-10-17(14-20(22)23)16-6-2-1-3-7-16/h1-3,6-7,10-11,14,18H,4-5,8-9,12-13,15,24H2/t18-/m0/s1
InChIKeyJDQKFEPRCUFBRZ-SFHVURJKSA-N
XLogP4.32
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-(7-pyridin-4-yl-1,2,3,4-tetrahydroacridin-9-yl)pyrrolidin-3-amine
CID 175429815
1-(7-pyridin-3-yl-1,2,3,4-tetrahydroacridin-9-yl)pyrrolidin-3-amine
CID 175776998
N-[4-[9-[(3S)-3-aminopyrrolidin-1-yl]-5,6,7,8-tetrahydroacridin-2-yl]-2-pyridinyl]benzamide;hydrochloride
CID 175299332
N-[4-[9-[(3S)-3-aminopyrrolidin-1-yl]-5,6,7,8-tetrahydroacridin-2-yl]-2-pyridinyl]acetamide
CID 175299307
N-[4-[9-[(3S)-3-aminopyrrolidin-1-yl]-5,6,7,8-tetrahydroacridin-2-yl]-2-pyridinyl]cyclopropanecarboxamide;hydrochloride
CID 163409191
N-[4-[11-(3-aminopyrrolidin-1-yl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-2-yl]-2-pyridinyl]cyclopentanecarboxamide
CID 175474511
1-[4-[9-[(3R)-3-aminopyrrolidin-1-yl]-5,6,7,8-tetrahydroacridin-2-yl]-2-pyridinyl]cyclopropane-1-carboxamide
CID 175299384
N-[4-[9-[(3S)-3-aminopyrrolidin-1-yl]-5,6,7,8-tetrahydroacridin-2-yl]-2-pyridinyl]cyclohexanecarboxamide;hydrochloride
CID 175299318
N-[4-[11-(3-aminopyrrolidin-1-yl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-2-yl]-2-pyridinyl]cyclohexanecarboxamide;hydrochloride
CID 175474518
N-[4-[9-[(3S)-3-aminopiperidin-1-yl]-5,6,7,8-tetrahydroacridin-2-yl]-2-pyridinyl]cyclopropanecarboxamide;hydrochloride
CID 175379458
6-phenyl-1,2,3,4-tetrahydroacridin-9-amine
CID 19804321
9-(4-carboxypiperidin-1-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline-7-carboxylic acid
CID 7138219

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(7-phenyl-1,2,3,4-tetrahydroacridin-9-yl)pyrrolidin-3-amine?
The IUPAC name of (3S)-1-(7-phenyl-1,2,3,4-tetrahydroacridin-9-yl)pyrrolidin-3-amine (CID 175429789) is (3S)-1-(7-phenyl-1,2,3,4-tetrahydroacridin-9-yl)pyrrolidin-3-amine.
What is the SMILES notation for (3S)-1-(7-phenyl-1,2,3,4-tetrahydroacridin-9-yl)pyrrolidin-3-amine?
The canonical SMILES for (3S)-1-(7-phenyl-1,2,3,4-tetrahydroacridin-9-yl)pyrrolidin-3-amine is N[C@H]1CCN(c2c3c(nc4ccc(-c5ccccc5)cc24)CCCC3)C1.
What is the InChIKey of (3S)-1-(7-phenyl-1,2,3,4-tetrahydroacridin-9-yl)pyrrolidin-3-amine?
The InChIKey is JDQKFEPRCUFBRZ-SFHVURJKSA-N. The full InChI is InChI=1S/C23H25N3/c24-18-12-13-26(15-18)23-19-8-4-5-9-21(19)25-22-11-10-17(14-20(22)23)16-6-2-1-3-7-16/h1-3,6-7,10-11,14,18H,4-5,8-9,12-13,15,24H2/t18-/m0/s1.
What are the key properties of (3S)-1-(7-phenyl-1,2,3,4-tetrahydroacridin-9-yl)pyrrolidin-3-amine?
(3S)-1-(7-phenyl-1,2,3,4-tetrahydroacridin-9-yl)pyrrolidin-3-amine has a molecular weight of 343.47 g/mol, XLogP of 4.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(7-phenyl-1,2,3,4-tetrahydroacridin-9-yl)pyrrolidin-3-amine is sourced from PubChem (CID 175429789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).