[1-[(R)-[(3-chloro-2-pyridinyl)methylamino]-phenylmethyl]cyclopent-3-en-1-yl]methanol

C19H21ClN2O — CID 164639849

IUPAC[1-[(R)-[(3-chloro-2-pyridinyl)methylamino]-phenylmethyl]cyclopent-3-en-1-yl]methanol
SMILESOCC1([C@H](NCc2ncccc2Cl)c2ccccc2)CC=CC1
InChIInChI=1S/C19H21ClN2O/c20-16-9-6-12-21-17(16)13-22-18(15-7-2-1-3-8-15)19(14-23)10-4-5-11-19/h1-9,12,18,22-23H,10-11,13-14H2/t18-/m1/s1
InChIKeyIOJUXNZUTABUIV-GOSISDBHSA-N
MW328.84 g/mol
LogP3.89
Rot. Bonds6

About [1-[(R)-[(3-chloro-2-pyridinyl)methylamino]-phenylmethyl]cyclopent-3-en-1-yl]methanol

[1-[(R)-[(3-chloro-2-pyridinyl)methylamino]-phenylmethyl]cyclopent-3-en-1-yl]methanol (PubChem CID 164639849) has the molecular formula C19H21ClN2O and a molecular weight of 328.84 g/mol. Its IUPAC name is [1-[(R)-[(3-chloro-2-pyridinyl)methylamino]-phenylmethyl]cyclopent-3-en-1-yl]methanol.

Molecular Properties

Compound Name[1-[(R)-[(3-chloro-2-pyridinyl)methylamino]-phenylmethyl]cyclopent-3-en-1-yl]methanol
PubChem CID164639849
Molecular FormulaC19H21ClN2O
Molecular Weight328.84 g/mol
Exact Mass328.13
IUPAC Name[1-[(R)-[(3-chloro-2-pyridinyl)methylamino]-phenylmethyl]cyclopent-3-en-1-yl]methanol
SMILESOCC1([C@H](NCc2ncccc2Cl)c2ccccc2)CC=CC1
InChIInChI=1S/C19H21ClN2O/c20-16-9-6-12-21-17(16)13-22-18(15-7-2-1-3-8-15)19(14-23)10-4-5-11-19/h1-9,12,18,22-23H,10-11,13-14H2/t18-/m1/s1
InChIKeyIOJUXNZUTABUIV-GOSISDBHSA-N
XLogP3.89
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-[(R)-[(3-chloro-2-pyridinyl)methylamino]-phenylmethyl]cyclopent-3-en-1-yl]methanol?
The IUPAC name of [1-[(R)-[(3-chloro-2-pyridinyl)methylamino]-phenylmethyl]cyclopent-3-en-1-yl]methanol (CID 164639849) is [1-[(R)-[(3-chloro-2-pyridinyl)methylamino]-phenylmethyl]cyclopent-3-en-1-yl]methanol.
What is the SMILES notation for [1-[(R)-[(3-chloro-2-pyridinyl)methylamino]-phenylmethyl]cyclopent-3-en-1-yl]methanol?
The canonical SMILES for [1-[(R)-[(3-chloro-2-pyridinyl)methylamino]-phenylmethyl]cyclopent-3-en-1-yl]methanol is OCC1([C@H](NCc2ncccc2Cl)c2ccccc2)CC=CC1.
What is the InChIKey of [1-[(R)-[(3-chloro-2-pyridinyl)methylamino]-phenylmethyl]cyclopent-3-en-1-yl]methanol?
The InChIKey is IOJUXNZUTABUIV-GOSISDBHSA-N. The full InChI is InChI=1S/C19H21ClN2O/c20-16-9-6-12-21-17(16)13-22-18(15-7-2-1-3-8-15)19(14-23)10-4-5-11-19/h1-9,12,18,22-23H,10-11,13-14H2/t18-/m1/s1.
What are the key properties of [1-[(R)-[(3-chloro-2-pyridinyl)methylamino]-phenylmethyl]cyclopent-3-en-1-yl]methanol?
[1-[(R)-[(3-chloro-2-pyridinyl)methylamino]-phenylmethyl]cyclopent-3-en-1-yl]methanol has a molecular weight of 328.84 g/mol, XLogP of 3.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(R)-[(3-chloro-2-pyridinyl)methylamino]-phenylmethyl]cyclopent-3-en-1-yl]methanol is sourced from PubChem (CID 164639849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).