N-[[4-(2-chloro-5-methylphenoxy)phenyl]methyl]ethanamine

C16H18ClNO — CID 43283829

IUPACN-[[4-(2-chloro-5-methylphenoxy)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(Oc2cc(C)ccc2Cl)cc1
InChIInChI=1S/C16H18ClNO/c1-3-18-11-13-5-7-14(8-6-13)19-16-10-12(2)4-9-15(16)17/h4-10,18H,3,11H2,1-2H3
InChIKeyTZKDAILPURNEKL-UHFFFAOYSA-N
MW275.78 g/mol
LogP4.55
Rot. Bonds5

About N-[[4-(2-chloro-5-methylphenoxy)phenyl]methyl]ethanamine

N-[[4-(2-chloro-5-methylphenoxy)phenyl]methyl]ethanamine (PubChem CID 43283829) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is N-[[4-(2-chloro-5-methylphenoxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-(2-chloro-5-methylphenoxy)phenyl]methyl]ethanamine
PubChem CID43283829
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC NameN-[[4-(2-chloro-5-methylphenoxy)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(Oc2cc(C)ccc2Cl)cc1
InChIInChI=1S/C16H18ClNO/c1-3-18-11-13-5-7-14(8-6-13)19-16-10-12(2)4-9-15(16)17/h4-10,18H,3,11H2,1-2H3
InChIKeyTZKDAILPURNEKL-UHFFFAOYSA-N
XLogP4.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-(2-chloro-5-methylphenoxy)-4-methylphenyl]methyl]ethanamine
CID 105407022
N-[[4-(2-chloro-4-methylphenoxy)phenyl]methyl]propan-1-amine
CID 63550749
N-[[3-chloro-4-(4-propylphenoxy)phenyl]methyl]ethanamine
CID 81151266
N-[[5-chloro-2-(2-chloro-5-methylphenoxy)phenyl]methyl]ethanamine
CID 114856304
N-[[3-chloro-4-(4-propan-2-ylphenoxy)phenyl]methyl]ethanamine
CID 81145340
N-[[4-(2-bromo-4-chlorophenoxy)phenyl]methyl]ethanamine
CID 43283476
4-[2-chloro-4-(ethylaminomethyl)phenoxy]benzamide
CID 81152006
N-[(4-methylphenyl)methyl]ethanamine
CID 4716476
N-[[4-(2,4-dichlorophenoxy)phenyl]methyl]propan-1-amine
CID 43283286
N-[[4-(2-fluoro-3-methylphenoxy)phenyl]methyl]ethanamine
CID 107659654
N-[[4-(2-chlorophenoxy)phenyl]methyl]propan-1-amine
CID 43282969
N-[[3-(4-fluorophenoxy)-4-methylphenyl]methyl]ethanamine
CID 105406759

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-chloro-5-methylphenoxy)phenyl]methyl]ethanamine?
The IUPAC name of N-[[4-(2-chloro-5-methylphenoxy)phenyl]methyl]ethanamine (CID 43283829) is N-[[4-(2-chloro-5-methylphenoxy)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-(2-chloro-5-methylphenoxy)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[4-(2-chloro-5-methylphenoxy)phenyl]methyl]ethanamine is CCNCc1ccc(Oc2cc(C)ccc2Cl)cc1.
What is the InChIKey of N-[[4-(2-chloro-5-methylphenoxy)phenyl]methyl]ethanamine?
The InChIKey is TZKDAILPURNEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO/c1-3-18-11-13-5-7-14(8-6-13)19-16-10-12(2)4-9-15(16)17/h4-10,18H,3,11H2,1-2H3.
What are the key properties of N-[[4-(2-chloro-5-methylphenoxy)phenyl]methyl]ethanamine?
N-[[4-(2-chloro-5-methylphenoxy)phenyl]methyl]ethanamine has a molecular weight of 275.78 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-chloro-5-methylphenoxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 43283829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).