N-[[2-chloro-6-(3-propan-2-ylphenoxy)phenyl]methyl]ethanamine

C18H22ClNO — CID 43282754

IUPACN-[[2-chloro-6-(3-propan-2-ylphenoxy)phenyl]methyl]ethanamine
SMILESCCNCc1c(Cl)cccc1Oc1cccc(C(C)C)c1
InChIInChI=1S/C18H22ClNO/c1-4-20-12-16-17(19)9-6-10-18(16)21-15-8-5-7-14(11-15)13(2)3/h5-11,13,20H,4,12H2,1-3H3
InChIKeyUKLXQHVQAJGHPX-UHFFFAOYSA-N
MW303.83 g/mol
LogP5.37
Rot. Bonds6

About N-[[2-chloro-6-(3-propan-2-ylphenoxy)phenyl]methyl]ethanamine

N-[[2-chloro-6-(3-propan-2-ylphenoxy)phenyl]methyl]ethanamine (PubChem CID 43282754) has the molecular formula C18H22ClNO and a molecular weight of 303.83 g/mol. Its IUPAC name is N-[[2-chloro-6-(3-propan-2-ylphenoxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-chloro-6-(3-propan-2-ylphenoxy)phenyl]methyl]ethanamine
PubChem CID43282754
Molecular FormulaC18H22ClNO
Molecular Weight303.83 g/mol
Exact Mass303.14
IUPAC NameN-[[2-chloro-6-(3-propan-2-ylphenoxy)phenyl]methyl]ethanamine
SMILESCCNCc1c(Cl)cccc1Oc1cccc(C(C)C)c1
InChIInChI=1S/C18H22ClNO/c1-4-20-12-16-17(19)9-6-10-18(16)21-15-8-5-7-14(11-15)13(2)3/h5-11,13,20H,4,12H2,1-3H3
InChIKeyUKLXQHVQAJGHPX-UHFFFAOYSA-N
XLogP5.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.83
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-chloro-6-(3,5-dimethylphenoxy)phenyl]methyl]ethanamine
CID 43283090
N-[[5-fluoro-2-(3-propan-2-ylphenoxy)phenyl]methyl]ethanamine
CID 43314145
N-[[2-chloro-6-(2-chlorophenoxy)phenyl]methyl]ethanamine
CID 43282972
N-[[2-chloro-6-(3-chlorophenoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 63552562
N-[[4-bromo-2-(3-propan-2-ylphenoxy)phenyl]methyl]ethanamine
CID 43282741
N-[(2-chloro-6-phenoxyphenyl)methyl]-2-methylpropan-1-amine
CID 63552374
N-[[2-chloro-6-(3-chloro-2-fluorophenoxy)phenyl]methyl]ethanamine
CID 116689563
N-[(2,6-dichlorophenyl)methyl]ethanamine;hydrochloride
CID 17290765
N-[[2-chloro-6-(2-ethylphenoxy)phenyl]methyl]ethanamine
CID 43283802
N-[[2-chloro-6-(methoxymethoxy)phenyl]methyl]ethanamine
CID 114318997
4-chloro-2-(chloromethyl)-1-(3-propan-2-ylphenoxy)benzene
CID 114846940
N-[[2-(4-bromo-2-methylphenoxy)-6-chlorophenyl]methyl]ethanamine
CID 63552227

Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-6-(3-propan-2-ylphenoxy)phenyl]methyl]ethanamine?
The IUPAC name of N-[[2-chloro-6-(3-propan-2-ylphenoxy)phenyl]methyl]ethanamine (CID 43282754) is N-[[2-chloro-6-(3-propan-2-ylphenoxy)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-chloro-6-(3-propan-2-ylphenoxy)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[2-chloro-6-(3-propan-2-ylphenoxy)phenyl]methyl]ethanamine is CCNCc1c(Cl)cccc1Oc1cccc(C(C)C)c1.
What is the InChIKey of N-[[2-chloro-6-(3-propan-2-ylphenoxy)phenyl]methyl]ethanamine?
The InChIKey is UKLXQHVQAJGHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO/c1-4-20-12-16-17(19)9-6-10-18(16)21-15-8-5-7-14(11-15)13(2)3/h5-11,13,20H,4,12H2,1-3H3.
What are the key properties of N-[[2-chloro-6-(3-propan-2-ylphenoxy)phenyl]methyl]ethanamine?
N-[[2-chloro-6-(3-propan-2-ylphenoxy)phenyl]methyl]ethanamine has a molecular weight of 303.83 g/mol, XLogP of 5.37, 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-(3-propan-2-ylphenoxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 43282754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).