N-[[3-chloro-6-(oxolan-3-ylmethoxy)-2-pyridinyl]methyl]propan-2-amine

C14H21ClN2O2 — CID 62321214

IUPACN-[[3-chloro-6-(oxolan-3-ylmethoxy)-2-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1nc(OCC2CCOC2)ccc1Cl
InChIInChI=1S/C14H21ClN2O2/c1-10(2)16-7-13-12(15)3-4-14(17-13)19-9-11-5-6-18-8-11/h3-4,10-11,16H,5-9H2,1-2H3
InChIKeyLMYCELJMGBQFIU-UHFFFAOYSA-N
MW284.79 g/mol
LogP2.65
Rot. Bonds6

About N-[[3-chloro-6-(oxolan-3-ylmethoxy)-2-pyridinyl]methyl]propan-2-amine

N-[[3-chloro-6-(oxolan-3-ylmethoxy)-2-pyridinyl]methyl]propan-2-amine (PubChem CID 62321214) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is N-[[3-chloro-6-(oxolan-3-ylmethoxy)-2-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-chloro-6-(oxolan-3-ylmethoxy)-2-pyridinyl]methyl]propan-2-amine
PubChem CID62321214
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC NameN-[[3-chloro-6-(oxolan-3-ylmethoxy)-2-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1nc(OCC2CCOC2)ccc1Cl
InChIInChI=1S/C14H21ClN2O2/c1-10(2)16-7-13-12(15)3-4-14(17-13)19-9-11-5-6-18-8-11/h3-4,10-11,16H,5-9H2,1-2H3
InChIKeyLMYCELJMGBQFIU-UHFFFAOYSA-N
XLogP2.65
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-chloro-6-(oxan-4-ylmethoxy)-2-pyridinyl]-N-methylmethanamine
CID 55066112
N-[[3-chloro-6-(oxan-4-ylmethoxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62386003
N-[[3-chloro-6-(cyclopentylmethoxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 66324406
5-chloro-N-methyl-N-(oxan-3-ylmethyl)-6-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 63708108
N-[[3-chloro-6-(2-methylcyclohexyl)oxy-2-pyridinyl]methyl]propan-2-amine
CID 62290127
2-chloro-6-(oxolan-3-ylmethoxy)pyridine
CID 63586868
N-[[3-chloro-6-(oxan-4-yloxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62288591
N-[[6-methyl-3-(oxan-4-ylmethoxy)-2-pyridinyl]methyl]propan-2-amine
CID 79151236
N-[[3-chloro-6-(oxan-4-yloxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 62288590
N-[[3-bromo-4-(oxolan-3-ylmethoxy)phenyl]methyl]propan-2-amine
CID 63045859
5-chloro-2-(oxolan-3-ylmethoxy)pyridine
CID 66234571
N-[[3-chloro-6-(cyclohexylmethoxy)-2-pyridinyl]methyl]propan-1-amine
CID 63489698

Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-6-(oxolan-3-ylmethoxy)-2-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[3-chloro-6-(oxolan-3-ylmethoxy)-2-pyridinyl]methyl]propan-2-amine (CID 62321214) is N-[[3-chloro-6-(oxolan-3-ylmethoxy)-2-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-chloro-6-(oxolan-3-ylmethoxy)-2-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-chloro-6-(oxolan-3-ylmethoxy)-2-pyridinyl]methyl]propan-2-amine is CC(C)NCc1nc(OCC2CCOC2)ccc1Cl.
What is the InChIKey of N-[[3-chloro-6-(oxolan-3-ylmethoxy)-2-pyridinyl]methyl]propan-2-amine?
The InChIKey is LMYCELJMGBQFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2/c1-10(2)16-7-13-12(15)3-4-14(17-13)19-9-11-5-6-18-8-11/h3-4,10-11,16H,5-9H2,1-2H3.
What are the key properties of N-[[3-chloro-6-(oxolan-3-ylmethoxy)-2-pyridinyl]methyl]propan-2-amine?
N-[[3-chloro-6-(oxolan-3-ylmethoxy)-2-pyridinyl]methyl]propan-2-amine has a molecular weight of 284.79 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-chloro-6-(oxolan-3-ylmethoxy)-2-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 62321214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).