N-[(2-chloro-6-phenoxyphenyl)methyl]-2-methylpropan-1-amine

C17H20ClNO — CID 63552374

IUPACN-[(2-chloro-6-phenoxyphenyl)methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1c(Cl)cccc1Oc1ccccc1
InChIInChI=1S/C17H20ClNO/c1-13(2)11-19-12-15-16(18)9-6-10-17(15)20-14-7-4-3-5-8-14/h3-10,13,19H,11-12H2,1-2H3
InChIKeyZMVMIPKDLQTGCA-UHFFFAOYSA-N
MW289.81 g/mol
LogP4.88
Rot. Bonds6

About N-[(2-chloro-6-phenoxyphenyl)methyl]-2-methylpropan-1-amine

N-[(2-chloro-6-phenoxyphenyl)methyl]-2-methylpropan-1-amine (PubChem CID 63552374) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is N-[(2-chloro-6-phenoxyphenyl)methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(2-chloro-6-phenoxyphenyl)methyl]-2-methylpropan-1-amine
PubChem CID63552374
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC NameN-[(2-chloro-6-phenoxyphenyl)methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1c(Cl)cccc1Oc1ccccc1
InChIInChI=1S/C17H20ClNO/c1-13(2)11-19-12-15-16(18)9-6-10-17(15)20-14-7-4-3-5-8-14/h3-10,13,19H,11-12H2,1-2H3
InChIKeyZMVMIPKDLQTGCA-UHFFFAOYSA-N
XLogP4.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-chloro-6-(3-chlorophenoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 63552562
N-[(2-chloro-6-propoxyphenyl)methyl]-2-methylpropan-1-amine
CID 114320040
N-[[2-chloro-6-(methoxymethoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 114319956
N-[[2-chloro-6-(2-chloroprop-2-enoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 113276768
2-[3-chloro-2-[(2-methylpropylamino)methyl]phenoxy]-N-methylpropanamide
CID 114319962
5-[3-chloro-2-[(2-methylpropylamino)methyl]phenoxy]pentanenitrile
CID 114320034
4-[3-chloro-2-[(2-methylpropylamino)methyl]phenoxy]-2-methylbutan-2-ol
CID 114319981
N-[[2-chloro-6-(pyridin-3-ylmethoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 114319988
N-[(2-benzylsulfanyl-6-chlorophenyl)methyl]-2-methylpropan-1-amine
CID 63805579
N-[[2-chloro-6-(3-propan-2-ylphenoxy)phenyl]methyl]ethanamine
CID 43282754
(2-chloro-6-phenoxyphenyl)methanamine
CID 2777206
N-[(2-chloro-6-fluorophenyl)methyl]-2-methylpropan-1-amine;ethane
CID 142079135

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-phenoxyphenyl)methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[(2-chloro-6-phenoxyphenyl)methyl]-2-methylpropan-1-amine (CID 63552374) is N-[(2-chloro-6-phenoxyphenyl)methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[(2-chloro-6-phenoxyphenyl)methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[(2-chloro-6-phenoxyphenyl)methyl]-2-methylpropan-1-amine is CC(C)CNCc1c(Cl)cccc1Oc1ccccc1.
What is the InChIKey of N-[(2-chloro-6-phenoxyphenyl)methyl]-2-methylpropan-1-amine?
The InChIKey is ZMVMIPKDLQTGCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO/c1-13(2)11-19-12-15-16(18)9-6-10-17(15)20-14-7-4-3-5-8-14/h3-10,13,19H,11-12H2,1-2H3.
What are the key properties of N-[(2-chloro-6-phenoxyphenyl)methyl]-2-methylpropan-1-amine?
N-[(2-chloro-6-phenoxyphenyl)methyl]-2-methylpropan-1-amine has a molecular weight of 289.81 g/mol, XLogP of 4.88, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-phenoxyphenyl)methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 63552374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).