N-[[3-chloro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]methyl]-2-methylpropan-2-amine

C17H21ClN2O — CID 81152126

IUPACN-[[3-chloro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]methyl]-2-methylpropan-2-amine
SMILESCc1ccc(Oc2ccc(CNC(C)(C)C)cc2Cl)cn1
InChIInChI=1S/C17H21ClN2O/c1-12-5-7-14(11-19-12)21-16-8-6-13(9-15(16)18)10-20-17(2,3)4/h5-9,11,20H,10H2,1-4H3
InChIKeyHDQXBGXORLLCPD-UHFFFAOYSA-N
MW304.82 g/mol
LogP4.72
Rot. Bonds4

About N-[[3-chloro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]methyl]-2-methylpropan-2-amine

N-[[3-chloro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]methyl]-2-methylpropan-2-amine (PubChem CID 81152126) has the molecular formula C17H21ClN2O and a molecular weight of 304.82 g/mol. Its IUPAC name is N-[[3-chloro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[3-chloro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]methyl]-2-methylpropan-2-amine
PubChem CID81152126
Molecular FormulaC17H21ClN2O
Molecular Weight304.82 g/mol
Exact Mass304.13
IUPAC NameN-[[3-chloro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]methyl]-2-methylpropan-2-amine
SMILESCc1ccc(Oc2ccc(CNC(C)(C)C)cc2Cl)cn1
InChIInChI=1S/C17H21ClN2O/c1-12-5-7-14(11-19-12)21-16-8-6-13(9-15(16)18)10-20-17(2,3)4/h5-9,11,20H,10H2,1-4H3
InChIKeyHDQXBGXORLLCPD-UHFFFAOYSA-N
XLogP4.72
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[3-chloro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]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

[3-chloro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]methanol
CID 66825550
N-[[4-chloro-2-[(6-methyl-3-pyridinyl)oxy]phenyl]methyl]-2-methylpropan-2-amine
CID 114856965
1-[3-chloro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]butan-2-amine
CID 81160757
N-[[3-chloro-4-(2-methylphenoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 81144981
N-[[4-(2-bromophenoxy)-3-chlorophenyl]methyl]-2-methylpropan-2-amine
CID 81145811
2-methyl-N-[[4-[(6-methyl-3-pyridinyl)oxymethyl]phenyl]methyl]propan-2-amine
CID 62440308
N-methyl-1-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]methanamine
CID 62123861
2-methyl-N-[[3-[(6-methyl-3-pyridinyl)oxymethyl]phenyl]methyl]propan-2-amine
CID 62440301
N-[(3-chloro-4-ethoxyphenyl)methyl]-2-methylpropan-2-amine;hydrochloride
CID 17156923
2-methyl-N-[[3-[(6-methyl-3-pyridinyl)oxy]-4-pyridinyl]methyl]propan-2-amine
CID 105074816
3-chloro-4-[(6-methyl-3-pyridinyl)oxy]benzaldehyde
CID 81151107
N-[[3-chloro-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]methyl]-2-methylpropan-2-amine
CID 63057024

Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[3-chloro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]methyl]-2-methylpropan-2-amine (CID 81152126) is N-[[3-chloro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[3-chloro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[3-chloro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]methyl]-2-methylpropan-2-amine is Cc1ccc(Oc2ccc(CNC(C)(C)C)cc2Cl)cn1.
What is the InChIKey of N-[[3-chloro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]methyl]-2-methylpropan-2-amine?
The InChIKey is HDQXBGXORLLCPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O/c1-12-5-7-14(11-19-12)21-16-8-6-13(9-15(16)18)10-20-17(2,3)4/h5-9,11,20H,10H2,1-4H3.
What are the key properties of N-[[3-chloro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]methyl]-2-methylpropan-2-amine?
N-[[3-chloro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]methyl]-2-methylpropan-2-amine has a molecular weight of 304.82 g/mol, XLogP of 4.72, 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-[(6-methyl-3-pyridinyl)oxy]phenyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 81152126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).