N-[[6-(4-chloro-2-methylphenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine

C17H21ClN2O — CID 62323244

IUPACN-[[6-(4-chloro-2-methylphenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCc1cc(Cl)ccc1Oc1ccc(CNCC(C)C)cn1
InChIInChI=1S/C17H21ClN2O/c1-12(2)9-19-10-14-4-7-17(20-11-14)21-16-6-5-15(18)8-13(16)3/h4-8,11-12,19H,9-10H2,1-3H3
InChIKeyOCQGXRVZISFTDQ-UHFFFAOYSA-N
MW304.82 g/mol
LogP4.58
Rot. Bonds6

About N-[[6-(4-chloro-2-methylphenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine

N-[[6-(4-chloro-2-methylphenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine (PubChem CID 62323244) has the molecular formula C17H21ClN2O and a molecular weight of 304.82 g/mol. Its IUPAC name is N-[[6-(4-chloro-2-methylphenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[6-(4-chloro-2-methylphenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
PubChem CID62323244
Molecular FormulaC17H21ClN2O
Molecular Weight304.82 g/mol
Exact Mass304.13
IUPAC NameN-[[6-(4-chloro-2-methylphenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCc1cc(Cl)ccc1Oc1ccc(CNCC(C)C)cn1
InChIInChI=1S/C17H21ClN2O/c1-12(2)9-19-10-14-4-7-17(20-11-14)21-16-6-5-15(18)8-13(16)3/h4-8,11-12,19H,9-10H2,1-3H3
InChIKeyOCQGXRVZISFTDQ-UHFFFAOYSA-N
XLogP4.58
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[6-(2-bromo-4-chlorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62323080
N-[[6-(4-bromo-2-methylphenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 63216591
N-[[6-(4-chlorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62296432
1-[6-(4-chloro-2-methylphenoxy)-3-pyridinyl]propan-2-amine
CID 80639510
N-[[6-(3,4-dichlorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62322080
N-[[6-(2,4-dibromophenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 64721563
N-[[6-(3-chloro-2-fluorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 116689574
2-methyl-N-[[6-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]propan-1-amine
CID 62288410
N-[[6-(2,5-dichlorophenoxy)-3-pyridinyl]methyl]ethanamine
CID 62296038
N-[[6-(2-bromo-4-chlorophenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62322902
1-[6-(2,4-dichlorophenoxy)-3-pyridinyl]-N-methylmethanamine
CID 55058802
N-[[2-(2-bromo-4-chlorophenoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62322021

Frequently Asked Questions

What is the IUPAC name of N-[[6-(4-chloro-2-methylphenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[6-(4-chloro-2-methylphenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine (CID 62323244) is N-[[6-(4-chloro-2-methylphenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[6-(4-chloro-2-methylphenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[6-(4-chloro-2-methylphenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine is Cc1cc(Cl)ccc1Oc1ccc(CNCC(C)C)cn1.
What is the InChIKey of N-[[6-(4-chloro-2-methylphenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine?
The InChIKey is OCQGXRVZISFTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O/c1-12(2)9-19-10-14-4-7-17(20-11-14)21-16-6-5-15(18)8-13(16)3/h4-8,11-12,19H,9-10H2,1-3H3.
What are the key properties of N-[[6-(4-chloro-2-methylphenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine?
N-[[6-(4-chloro-2-methylphenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine has a molecular weight of 304.82 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(4-chloro-2-methylphenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 62323244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).