N-[[2-(2-chloro-4-methylphenoxy)phenyl]methyl]propan-2-amine

C17H20ClNO — CID 63550934

IUPACN-[[2-(2-chloro-4-methylphenoxy)phenyl]methyl]propan-2-amine
SMILESCc1ccc(Oc2ccccc2CNC(C)C)c(Cl)c1
InChIInChI=1S/C17H20ClNO/c1-12(2)19-11-14-6-4-5-7-16(14)20-17-9-8-13(3)10-15(17)18/h4-10,12,19H,11H2,1-3H3
InChIKeySBEANKLBONQFGW-UHFFFAOYSA-N
MW289.81 g/mol
LogP4.94
Rot. Bonds5

About N-[[2-(2-chloro-4-methylphenoxy)phenyl]methyl]propan-2-amine

N-[[2-(2-chloro-4-methylphenoxy)phenyl]methyl]propan-2-amine (PubChem CID 63550934) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is N-[[2-(2-chloro-4-methylphenoxy)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(2-chloro-4-methylphenoxy)phenyl]methyl]propan-2-amine
PubChem CID63550934
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC NameN-[[2-(2-chloro-4-methylphenoxy)phenyl]methyl]propan-2-amine
SMILESCc1ccc(Oc2ccccc2CNC(C)C)c(Cl)c1
InChIInChI=1S/C17H20ClNO/c1-12(2)19-11-14-6-4-5-7-16(14)20-17-9-8-13(3)10-15(17)18/h4-10,12,19H,11H2,1-3H3
InChIKeySBEANKLBONQFGW-UHFFFAOYSA-N
XLogP4.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(3-methylphenoxy)phenyl]methyl]propan-2-amine
CID 43283112
N-[[5-chloro-2-(2-fluoro-5-methylphenoxy)phenyl]methyl]propan-2-amine
CID 114857479
N-[[2-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl]propan-2-amine
CID 43283842
N-[[2-(4-bromo-2-fluorophenoxy)phenyl]methyl]propan-2-amine
CID 43283629
N-[[4-(2-chloro-5-methylphenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 81250377
N-[[2-(2,3-dimethylphenoxy)phenyl]methyl]propan-2-amine
CID 43282794
N-[[2-(2,4-dimethylphenoxy)-5-fluorophenyl]methyl]propan-2-amine
CID 43314137
N-[[2-(2-bromo-4-fluorophenoxy)phenyl]methyl]propan-2-amine
CID 43282598
2-[2-[2-[(propan-2-ylamino)methyl]phenoxy]phenyl]ethanol
CID 107712955
1-[2-(2-chloro-5-methylphenoxy)phenyl]propan-2-amine
CID 63803481
N-[[2-(2-bromo-4-methylphenoxy)-5-fluorophenyl]methyl]propan-2-amine
CID 43314300
N-[[3-chloro-4-(2-methylsulfanylphenoxy)phenyl]methyl]propan-2-amine
CID 81151004

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-chloro-4-methylphenoxy)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(2-chloro-4-methylphenoxy)phenyl]methyl]propan-2-amine (CID 63550934) is N-[[2-(2-chloro-4-methylphenoxy)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(2-chloro-4-methylphenoxy)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(2-chloro-4-methylphenoxy)phenyl]methyl]propan-2-amine is Cc1ccc(Oc2ccccc2CNC(C)C)c(Cl)c1.
What is the InChIKey of N-[[2-(2-chloro-4-methylphenoxy)phenyl]methyl]propan-2-amine?
The InChIKey is SBEANKLBONQFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO/c1-12(2)19-11-14-6-4-5-7-16(14)20-17-9-8-13(3)10-15(17)18/h4-10,12,19H,11H2,1-3H3.
What are the key properties of N-[[2-(2-chloro-4-methylphenoxy)phenyl]methyl]propan-2-amine?
N-[[2-(2-chloro-4-methylphenoxy)phenyl]methyl]propan-2-amine has a molecular weight of 289.81 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-chloro-4-methylphenoxy)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 63550934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).