N-[[5-chloro-6-[2-(diethylamino)ethoxy]-3-pyridinyl]methyl]-2-methylpropan-2-amine

C16H28ClN3O — CID 62296676

IUPACN-[[5-chloro-6-[2-(diethylamino)ethoxy]-3-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCCN(CC)CCOc1ncc(CNC(C)(C)C)cc1Cl
InChIInChI=1S/C16H28ClN3O/c1-6-20(7-2)8-9-21-15-14(17)10-13(11-18-15)12-19-16(3,4)5/h10-11,19H,6-9,12H2,1-5H3
InChIKeyHSMTYWLLVNZBOI-UHFFFAOYSA-N
MW313.87 g/mol
LogP3.34
Rot. Bonds8

About N-[[5-chloro-6-[2-(diethylamino)ethoxy]-3-pyridinyl]methyl]-2-methylpropan-2-amine

N-[[5-chloro-6-[2-(diethylamino)ethoxy]-3-pyridinyl]methyl]-2-methylpropan-2-amine (PubChem CID 62296676) has the molecular formula C16H28ClN3O and a molecular weight of 313.87 g/mol. Its IUPAC name is N-[[5-chloro-6-[2-(diethylamino)ethoxy]-3-pyridinyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[5-chloro-6-[2-(diethylamino)ethoxy]-3-pyridinyl]methyl]-2-methylpropan-2-amine
PubChem CID62296676
Molecular FormulaC16H28ClN3O
Molecular Weight313.87 g/mol
Exact Mass313.19
IUPAC NameN-[[5-chloro-6-[2-(diethylamino)ethoxy]-3-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCCN(CC)CCOc1ncc(CNC(C)(C)C)cc1Cl
InChIInChI=1S/C16H28ClN3O/c1-6-20(7-2)8-9-21-15-14(17)10-13(11-18-15)12-19-16(3,4)5/h10-11,19H,6-9,12H2,1-5H3
InChIKeyHSMTYWLLVNZBOI-UHFFFAOYSA-N
XLogP3.34
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.87
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-chloro-6-[2-(2-methylpropoxy)ethoxy]-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 106449522
N-[[5-chloro-6-(2-methylpropoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 55058238
3-[[3-chloro-5-(ethylaminomethyl)-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine
CID 62298233
1-(5-chloro-6-pentoxy-3-pyridinyl)-N-methylmethanamine
CID 62296845
N-[[4-[2-(diethylamino)ethoxymethyl]phenyl]methyl]-2-methylpropan-2-amine
CID 62458634
N-[[5-chloro-6-(2-methoxyethoxy)-3-pyridinyl]methyl]ethanamine
CID 62290358
N-[[6-(3-bromophenoxy)-5-chloro-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 62323927
N-[2-[[3-chloro-5-(methylaminomethyl)-2-pyridinyl]oxy]ethyl]-N-methylcyclopropanamine
CID 102740579
N-butan-2-yl-5-[(tert-butylamino)methyl]-3-chloro-N-methylpyridin-2-amine
CID 62278984
1-[5-chloro-6-(3,3,3-trifluoropropoxy)-3-pyridinyl]-N-methylmethanamine
CID 82956986
N,N-diethyl-2-[4-(methylaminomethyl)isoquinolin-1-yl]oxyethanamine
CID 106777424
1-[5-chloro-6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]-N-methylmethanamine
CID 62291646

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-6-[2-(diethylamino)ethoxy]-3-pyridinyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[5-chloro-6-[2-(diethylamino)ethoxy]-3-pyridinyl]methyl]-2-methylpropan-2-amine (CID 62296676) is N-[[5-chloro-6-[2-(diethylamino)ethoxy]-3-pyridinyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[5-chloro-6-[2-(diethylamino)ethoxy]-3-pyridinyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[5-chloro-6-[2-(diethylamino)ethoxy]-3-pyridinyl]methyl]-2-methylpropan-2-amine is CCN(CC)CCOc1ncc(CNC(C)(C)C)cc1Cl.
What is the InChIKey of N-[[5-chloro-6-[2-(diethylamino)ethoxy]-3-pyridinyl]methyl]-2-methylpropan-2-amine?
The InChIKey is HSMTYWLLVNZBOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28ClN3O/c1-6-20(7-2)8-9-21-15-14(17)10-13(11-18-15)12-19-16(3,4)5/h10-11,19H,6-9,12H2,1-5H3.
What are the key properties of N-[[5-chloro-6-[2-(diethylamino)ethoxy]-3-pyridinyl]methyl]-2-methylpropan-2-amine?
N-[[5-chloro-6-[2-(diethylamino)ethoxy]-3-pyridinyl]methyl]-2-methylpropan-2-amine has a molecular weight of 313.87 g/mol, XLogP of 3.34, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-6-[2-(diethylamino)ethoxy]-3-pyridinyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62296676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).