(1S)-5-chloro-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2,3-dihydro-1H-inden-1-amine

C19H22ClN3O — CID 97076939

IUPAC(1S)-5-chloro-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2,3-dihydro-1H-inden-1-amine
SMILESClc1ccc2c(c1)CC[C@@H]2NCc1cccnc1N1CCOCC1
InChIInChI=1S/C19H22ClN3O/c20-16-4-5-17-14(12-16)3-6-18(17)22-13-15-2-1-7-21-19(15)23-8-10-24-11-9-23/h1-2,4-5,7,12,18,22H,3,6,8-11,13H2/t18-/m0/s1
InChIKeyDJKMCZMXGXPFLV-SFHVURJKSA-N
MW343.86 g/mol
LogP3.35
Rot. Bonds4

About (1S)-5-chloro-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2,3-dihydro-1H-inden-1-amine

(1S)-5-chloro-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2,3-dihydro-1H-inden-1-amine (PubChem CID 97076939) has the molecular formula C19H22ClN3O and a molecular weight of 343.86 g/mol. Its IUPAC name is (1S)-5-chloro-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name(1S)-5-chloro-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2,3-dihydro-1H-inden-1-amine
PubChem CID97076939
Molecular FormulaC19H22ClN3O
Molecular Weight343.86 g/mol
Exact Mass343.15
IUPAC Name(1S)-5-chloro-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2,3-dihydro-1H-inden-1-amine
SMILESClc1ccc2c(c1)CC[C@@H]2NCc1cccnc1N1CCOCC1
InChIInChI=1S/C19H22ClN3O/c20-16-4-5-17-14(12-16)3-6-18(17)22-13-15-2-1-7-21-19(15)23-8-10-24-11-9-23/h1-2,4-5,7,12,18,22H,3,6,8-11,13H2/t18-/m0/s1
InChIKeyDJKMCZMXGXPFLV-SFHVURJKSA-N
XLogP3.35
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.86
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S)-5-chloro-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of (1S)-5-chloro-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2,3-dihydro-1H-inden-1-amine (CID 97076939) is (1S)-5-chloro-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for (1S)-5-chloro-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for (1S)-5-chloro-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2,3-dihydro-1H-inden-1-amine is Clc1ccc2c(c1)CC[C@@H]2NCc1cccnc1N1CCOCC1.
What is the InChIKey of (1S)-5-chloro-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is DJKMCZMXGXPFLV-SFHVURJKSA-N. The full InChI is InChI=1S/C19H22ClN3O/c20-16-4-5-17-14(12-16)3-6-18(17)22-13-15-2-1-7-21-19(15)23-8-10-24-11-9-23/h1-2,4-5,7,12,18,22H,3,6,8-11,13H2/t18-/m0/s1.
What are the key properties of (1S)-5-chloro-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2,3-dihydro-1H-inden-1-amine?
(1S)-5-chloro-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 343.86 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-5-chloro-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 97076939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).