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

C17H21ClN2O — CID 62296527

IUPACN-[[6-(4-chloro-3-methylphenoxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCc1cc(Oc2cccc(CNCC(C)C)n2)ccc1Cl
InChIInChI=1S/C17H21ClN2O/c1-12(2)10-19-11-14-5-4-6-17(20-14)21-15-7-8-16(18)13(3)9-15/h4-9,12,19H,10-11H2,1-3H3
InChIKeyNMTPELVLMIIEKJ-UHFFFAOYSA-N
MW304.82 g/mol
LogP4.58
Rot. Bonds6

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

N-[[6-(4-chloro-3-methylphenoxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine (PubChem CID 62296527) has the molecular formula C17H21ClN2O and a molecular weight of 304.82 g/mol. Its IUPAC name is N-[[6-(4-chloro-3-methylphenoxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[6-(4-chloro-3-methylphenoxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine
PubChem CID62296527
Molecular FormulaC17H21ClN2O
Molecular Weight304.82 g/mol
Exact Mass304.13
IUPAC NameN-[[6-(4-chloro-3-methylphenoxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCc1cc(Oc2cccc(CNCC(C)C)n2)ccc1Cl
InChIInChI=1S/C17H21ClN2O/c1-12(2)10-19-11-14-5-4-6-17(20-14)21-15-7-8-16(18)13(3)9-15/h4-9,12,19H,10-11H2,1-3H3
InChIKeyNMTPELVLMIIEKJ-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-(4-chloro-3-methylphenoxy)-2-pyridinyl]methyl]propan-2-amine
CID 62298102
N-[[5-(4-chloro-3-methylphenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine
CID 107381639
N-[[4-(4-chloro-3-methylphenoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 63552535
N-[[6-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 64601212
2-bromo-6-(4-chloro-3-methylphenoxy)pyridine
CID 13175431
N-[[6-(3-chloro-4-fluorophenoxy)-2-pyridinyl]methyl]ethanamine
CID 55257457
2-methyl-N-[(6-prop-2-enoxy-2-pyridinyl)methyl]propan-1-amine
CID 62289325
N-[[6-(3-chlorophenoxy)-2-pyridinyl]methyl]ethanamine
CID 62323929
N-[[5-(3,4-dimethylphenoxy)pyrazin-2-yl]methyl]-2-methylpropan-1-amine
CID 107381790
2-methyl-N-[(6-phenylmethoxy-2-pyridinyl)methyl]propan-1-amine
CID 62292446
2-methyl-N-[[6-[(1-methyl-1,2,4-triazol-3-yl)oxy]-2-pyridinyl]methyl]propan-1-amine
CID 106597726
[6-(3,4-dichlorophenoxy)-2-pyridinyl]methanamine
CID 62322079

Frequently Asked Questions

What is the IUPAC name of N-[[6-(4-chloro-3-methylphenoxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[6-(4-chloro-3-methylphenoxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine (CID 62296527) is N-[[6-(4-chloro-3-methylphenoxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[6-(4-chloro-3-methylphenoxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[6-(4-chloro-3-methylphenoxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine is Cc1cc(Oc2cccc(CNCC(C)C)n2)ccc1Cl.
What is the InChIKey of N-[[6-(4-chloro-3-methylphenoxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine?
The InChIKey is NMTPELVLMIIEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O/c1-12(2)10-19-11-14-5-4-6-17(20-14)21-15-7-8-16(18)13(3)9-15/h4-9,12,19H,10-11H2,1-3H3.
What are the key properties of N-[[6-(4-chloro-3-methylphenoxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine?
N-[[6-(4-chloro-3-methylphenoxy)-2-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-3-methylphenoxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 62296527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).