N-[[2-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl]propan-2-amine

C18H22ClNO — CID 43283842

IUPACN-[[2-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl]propan-2-amine
SMILESCc1cc(Oc2ccccc2CNC(C)C)cc(C)c1Cl
InChIInChI=1S/C18H22ClNO/c1-12(2)20-11-15-7-5-6-8-17(15)21-16-9-13(3)18(19)14(4)10-16/h5-10,12,20H,11H2,1-4H3
InChIKeyCOAPACUMTBUQDW-UHFFFAOYSA-N
MW303.83 g/mol
LogP5.25
Rot. Bonds5

About N-[[2-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl]propan-2-amine

N-[[2-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl]propan-2-amine (PubChem CID 43283842) has the molecular formula C18H22ClNO and a molecular weight of 303.83 g/mol. Its IUPAC name is N-[[2-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl]propan-2-amine
PubChem CID43283842
Molecular FormulaC18H22ClNO
Molecular Weight303.83 g/mol
Exact Mass303.14
IUPAC NameN-[[2-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl]propan-2-amine
SMILESCc1cc(Oc2ccccc2CNC(C)C)cc(C)c1Cl
InChIInChI=1S/C18H22ClNO/c1-12(2)20-11-15-7-5-6-8-17(15)21-16-9-13(3)18(19)14(4)10-16/h5-10,12,20H,11H2,1-4H3
InChIKeyCOAPACUMTBUQDW-UHFFFAOYSA-N
XLogP5.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.83
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl]propan-1-amine
CID 43283843
N-[[2-(3-methylphenoxy)phenyl]methyl]propan-2-amine
CID 43283112
N-[[2-(2-chloro-4-methylphenoxy)phenyl]methyl]propan-2-amine
CID 63550934
N-[[2-(2,3-dimethylphenoxy)phenyl]methyl]propan-2-amine
CID 43282794
N-[[2-(3,4-difluorophenoxy)phenyl]methyl]propan-2-amine
CID 43554911
N-[(2-pyridin-3-yloxyphenyl)methyl]propan-2-amine
CID 43283723
1-[2-(4-chloro-3,5-dimethylphenoxy)phenyl]ethanol
CID 43510297
N-[[2-(2,3-dihydro-1H-inden-5-yloxy)phenyl]methyl]propan-2-amine
CID 43283537
N-[[2-(1,3-benzodioxol-5-yloxy)phenyl]methyl]propan-2-amine
CID 43282411
N-[(2-methoxyphenyl)methyl]propan-2-amine
CID 11458027
N-[[2-(3,5-dichlorophenoxy)-5-fluorophenyl]methyl]propan-2-amine
CID 43622055
2-[2-[2-[(propan-2-ylamino)methyl]phenoxy]phenyl]ethanol
CID 107712955

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl]propan-2-amine (CID 43283842) is N-[[2-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl]propan-2-amine is Cc1cc(Oc2ccccc2CNC(C)C)cc(C)c1Cl.
What is the InChIKey of N-[[2-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl]propan-2-amine?
The InChIKey is COAPACUMTBUQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO/c1-12(2)20-11-15-7-5-6-8-17(15)21-16-9-13(3)18(19)14(4)10-16/h5-10,12,20H,11H2,1-4H3.
What are the key properties of N-[[2-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl]propan-2-amine?
N-[[2-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl]propan-2-amine has a molecular weight of 303.83 g/mol, XLogP of 5.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 43283842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).