N-[[2-chloro-6-(pyridin-3-ylmethoxy)phenyl]methyl]-2-methylpropan-1-amine

C17H21ClN2O — CID 114319988

IUPACN-[[2-chloro-6-(pyridin-3-ylmethoxy)phenyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1c(Cl)cccc1OCc1cccnc1
InChIInChI=1S/C17H21ClN2O/c1-13(2)9-20-11-15-16(18)6-3-7-17(15)21-12-14-5-4-8-19-10-14/h3-8,10,13,20H,9,11-12H2,1-2H3
InChIKeyTWUNREFSENXSIF-UHFFFAOYSA-N
MW304.82 g/mol
LogP4.06
Rot. Bonds7

About N-[[2-chloro-6-(pyridin-3-ylmethoxy)phenyl]methyl]-2-methylpropan-1-amine

N-[[2-chloro-6-(pyridin-3-ylmethoxy)phenyl]methyl]-2-methylpropan-1-amine (PubChem CID 114319988) has the molecular formula C17H21ClN2O and a molecular weight of 304.82 g/mol. Its IUPAC name is N-[[2-chloro-6-(pyridin-3-ylmethoxy)phenyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-chloro-6-(pyridin-3-ylmethoxy)phenyl]methyl]-2-methylpropan-1-amine
PubChem CID114319988
Molecular FormulaC17H21ClN2O
Molecular Weight304.82 g/mol
Exact Mass304.13
IUPAC NameN-[[2-chloro-6-(pyridin-3-ylmethoxy)phenyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1c(Cl)cccc1OCc1cccnc1
InChIInChI=1S/C17H21ClN2O/c1-13(2)9-20-11-15-16(18)6-3-7-17(15)21-12-14-5-4-8-19-10-14/h3-8,10,13,20H,9,11-12H2,1-2H3
InChIKeyTWUNREFSENXSIF-UHFFFAOYSA-N
XLogP4.06
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-chloro-6-(pyridin-3-ylmethoxy)phenyl]methyl]propan-1-amine
CID 114319478
N-[[2-chloro-6-(methoxymethoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 114319956
N-[(2-chloro-6-propoxyphenyl)methyl]-2-methylpropan-1-amine
CID 114320040
N-[(2-chloro-6-phenoxyphenyl)methyl]-2-methylpropan-1-amine
CID 63552374
N-[[2-[(4-bromothiophen-2-yl)methoxy]-6-chlorophenyl]methyl]-2-methylpropan-1-amine
CID 114319974
N-[(2,6-dichlorophenyl)methyl]-1-pyridin-3-ylmethanamine chloride
CID 21233303
N-[[2-chloro-6-(2-chloroprop-2-enoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 113276768
N-[[2-chloro-6-[(3-chloro-4-pyridinyl)methoxy]phenyl]methyl]propan-2-amine
CID 114319763
N-[[2-[(5-bromo-3-pyridinyl)methoxy]-6-chlorophenyl]methyl]propan-2-amine
CID 104796439
N-[[2-chloro-6-(3-chlorophenoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 63552562
4-[3-chloro-2-[(2-methylpropylamino)methyl]phenoxy]-2-methylbutan-2-ol
CID 114319981
5-[3-chloro-2-[(2-methylpropylamino)methyl]phenoxy]pentanenitrile
CID 114320034

Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-6-(pyridin-3-ylmethoxy)phenyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-chloro-6-(pyridin-3-ylmethoxy)phenyl]methyl]-2-methylpropan-1-amine (CID 114319988) is N-[[2-chloro-6-(pyridin-3-ylmethoxy)phenyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-chloro-6-(pyridin-3-ylmethoxy)phenyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-chloro-6-(pyridin-3-ylmethoxy)phenyl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1c(Cl)cccc1OCc1cccnc1.
What is the InChIKey of N-[[2-chloro-6-(pyridin-3-ylmethoxy)phenyl]methyl]-2-methylpropan-1-amine?
The InChIKey is TWUNREFSENXSIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O/c1-13(2)9-20-11-15-16(18)6-3-7-17(15)21-12-14-5-4-8-19-10-14/h3-8,10,13,20H,9,11-12H2,1-2H3.
What are the key properties of N-[[2-chloro-6-(pyridin-3-ylmethoxy)phenyl]methyl]-2-methylpropan-1-amine?
N-[[2-chloro-6-(pyridin-3-ylmethoxy)phenyl]methyl]-2-methylpropan-1-amine has a molecular weight of 304.82 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-chloro-6-(pyridin-3-ylmethoxy)phenyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 114319988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).