N-[(3-chloro-4-pyridinyl)methyl]-2-cyclopropyloxolan-3-amine

C13H17ClN2O — CID 103580798

IUPACN-[(3-chloro-4-pyridinyl)methyl]-2-cyclopropyloxolan-3-amine
SMILESClc1cnccc1CNC1CCOC1C1CC1
InChIInChI=1S/C13H17ClN2O/c14-11-8-15-5-3-10(11)7-16-12-4-6-17-13(12)9-1-2-9/h3,5,8-9,12-13,16H,1-2,4,6-7H2
InChIKeyBRLNANLMNCXNPR-UHFFFAOYSA-N
MW252.74 g/mol
LogP2.39
Rot. Bonds4

About N-[(3-chloro-4-pyridinyl)methyl]-2-cyclopropyloxolan-3-amine

N-[(3-chloro-4-pyridinyl)methyl]-2-cyclopropyloxolan-3-amine (PubChem CID 103580798) has the molecular formula C13H17ClN2O and a molecular weight of 252.74 g/mol. Its IUPAC name is N-[(3-chloro-4-pyridinyl)methyl]-2-cyclopropyloxolan-3-amine.

Molecular Properties

Compound NameN-[(3-chloro-4-pyridinyl)methyl]-2-cyclopropyloxolan-3-amine
PubChem CID103580798
Molecular FormulaC13H17ClN2O
Molecular Weight252.74 g/mol
Exact Mass252.10
IUPAC NameN-[(3-chloro-4-pyridinyl)methyl]-2-cyclopropyloxolan-3-amine
SMILESClc1cnccc1CNC1CCOC1C1CC1
InChIInChI=1S/C13H17ClN2O/c14-11-8-15-5-3-10(11)7-16-12-4-6-17-13(12)9-1-2-9/h3,5,8-9,12-13,16H,1-2,4,6-7H2
InChIKeyBRLNANLMNCXNPR-UHFFFAOYSA-N
XLogP2.39
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-(2-cyclopropyloxolan-3-yl)pyridin-4-amine
CID 103863928
2-[(3-chloro-4-pyridinyl)methylamino]cycloheptan-1-ol
CID 113394727
N-[(5-chloroquinolin-8-yl)methyl]-2-cyclopropyloxolan-3-amine
CID 103580673
2-cyclopropyl-N-[(2-fluorophenyl)methyl]oxolan-3-amine
CID 103864475
2-chloro-4-[[(2-cyclopropyloxolan-3-yl)amino]methyl]phenol
CID 103864542
N-[(3-chloro-4-methoxyphenyl)methyl]-2-cyclopropyloxolan-3-amine
CID 103864559
2-[[(2-cyclopropyloxolan-3-yl)amino]methyl]-4-methylphenol
CID 113341265
N-[(2-bromo-3-fluorophenyl)methyl]-2-cyclopropyloxolan-3-amine
CID 114118996
2-cyclopropyl-N-[(3-methyl-2-pyridinyl)methyl]oxolan-3-amine
CID 113384129
2-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)oxolan-3-amine
CID 103864396
N-[(5-chloro-2-nitrophenyl)methyl]-2-cyclopropyloxolan-3-amine
CID 103580888
N-[(4-chloro-3-nitrophenyl)methyl]-2-cyclopropyloxolan-3-amine
CID 103864509

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-pyridinyl)methyl]-2-cyclopropyloxolan-3-amine?
The IUPAC name of N-[(3-chloro-4-pyridinyl)methyl]-2-cyclopropyloxolan-3-amine (CID 103580798) is N-[(3-chloro-4-pyridinyl)methyl]-2-cyclopropyloxolan-3-amine.
What is the SMILES notation for N-[(3-chloro-4-pyridinyl)methyl]-2-cyclopropyloxolan-3-amine?
The canonical SMILES for N-[(3-chloro-4-pyridinyl)methyl]-2-cyclopropyloxolan-3-amine is Clc1cnccc1CNC1CCOC1C1CC1.
What is the InChIKey of N-[(3-chloro-4-pyridinyl)methyl]-2-cyclopropyloxolan-3-amine?
The InChIKey is BRLNANLMNCXNPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O/c14-11-8-15-5-3-10(11)7-16-12-4-6-17-13(12)9-1-2-9/h3,5,8-9,12-13,16H,1-2,4,6-7H2.
What are the key properties of N-[(3-chloro-4-pyridinyl)methyl]-2-cyclopropyloxolan-3-amine?
N-[(3-chloro-4-pyridinyl)methyl]-2-cyclopropyloxolan-3-amine has a molecular weight of 252.74 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-pyridinyl)methyl]-2-cyclopropyloxolan-3-amine is sourced from PubChem (CID 103580798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).