N-[[5-chloro-2-(3-methylbutoxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine

C15H25ClN2O — CID 114927691

IUPACN-[[5-chloro-2-(3-methylbutoxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)CCOc1cc(CNC(C)(C)C)c(Cl)cn1
InChIInChI=1S/C15H25ClN2O/c1-11(2)6-7-19-14-8-12(13(16)10-17-14)9-18-15(3,4)5/h8,10-11,18H,6-7,9H2,1-5H3
InChIKeyZRYNFAFQDXNFPM-UHFFFAOYSA-N
MW284.83 g/mol
LogP4.05
Rot. Bonds6

About N-[[5-chloro-2-(3-methylbutoxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine

N-[[5-chloro-2-(3-methylbutoxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine (PubChem CID 114927691) has the molecular formula C15H25ClN2O and a molecular weight of 284.83 g/mol. Its IUPAC name is N-[[5-chloro-2-(3-methylbutoxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[5-chloro-2-(3-methylbutoxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine
PubChem CID114927691
Molecular FormulaC15H25ClN2O
Molecular Weight284.83 g/mol
Exact Mass284.17
IUPAC NameN-[[5-chloro-2-(3-methylbutoxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)CCOc1cc(CNC(C)(C)C)c(Cl)cn1
InChIInChI=1S/C15H25ClN2O/c1-11(2)6-7-19-14-8-12(13(16)10-17-14)9-18-15(3,4)5/h8,10-11,18H,6-7,9H2,1-5H3
InChIKeyZRYNFAFQDXNFPM-UHFFFAOYSA-N
XLogP4.05
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.83
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[5-chloro-2-(3-methylbutoxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(5-chloro-2-propoxy-4-pyridinyl)methyl]-2-methylpropan-2-amine
CID 114927869
N-[[5-chloro-2-(3-methylbutoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 114927694
N-[[5-chloro-2-(1-ethoxypropan-2-yloxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 103490459
2-methyl-N-[[6-(3-methylbutoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62289979
N-[[5-chloro-2-(cyclohexylmethoxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 114928593
2-methyl-N-[[6-methyl-4-(3-methylbutoxy)-3-pyridinyl]methyl]propan-2-amine
CID 81255353
N-[(2-butoxy-5-chloro-4-pyridinyl)methyl]propan-2-amine
CID 114927879
N-[[5-chloro-2-(4-fluorophenoxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 114928209
N-[[5-chloro-2-(2-methylpropoxy)-4-pyridinyl]methyl]ethanamine
CID 114927663
N-[[5-chloro-2-(oxolan-3-ylmethoxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 114928546
1-[5-chloro-2-(2-cyclopropylethoxy)-4-pyridinyl]-N-methylmethanamine
CID 106205334
2-methyl-N-[[6-(4-methylpentoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62292186

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-(3-methylbutoxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[5-chloro-2-(3-methylbutoxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine (CID 114927691) is N-[[5-chloro-2-(3-methylbutoxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[5-chloro-2-(3-methylbutoxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[5-chloro-2-(3-methylbutoxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine is CC(C)CCOc1cc(CNC(C)(C)C)c(Cl)cn1.
What is the InChIKey of N-[[5-chloro-2-(3-methylbutoxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine?
The InChIKey is ZRYNFAFQDXNFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN2O/c1-11(2)6-7-19-14-8-12(13(16)10-17-14)9-18-15(3,4)5/h8,10-11,18H,6-7,9H2,1-5H3.
What are the key properties of N-[[5-chloro-2-(3-methylbutoxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine?
N-[[5-chloro-2-(3-methylbutoxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine has a molecular weight of 284.83 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-(3-methylbutoxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 114927691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).