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

C18H22ClNO — CID 63495954

IUPACN-[2-(2-chloro-4-methylphenoxy)-2-phenylethyl]propan-2-amine
SMILESCc1ccc(OC(CNC(C)C)c2ccccc2)c(Cl)c1
InChIInChI=1S/C18H22ClNO/c1-13(2)20-12-18(15-7-5-4-6-8-15)21-17-10-9-14(3)11-16(17)19/h4-11,13,18,20H,12H2,1-3H3
InChIKeyUEIJDXUFAXXYOQ-UHFFFAOYSA-N
MW303.83 g/mol
LogP4.77
Rot. Bonds6

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

N-[2-(2-chloro-4-methylphenoxy)-2-phenylethyl]propan-2-amine (PubChem CID 63495954) has the molecular formula C18H22ClNO and a molecular weight of 303.83 g/mol. Its IUPAC name is N-[2-(2-chloro-4-methylphenoxy)-2-phenylethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-(2-chloro-4-methylphenoxy)-2-phenylethyl]propan-2-amine
PubChem CID63495954
Molecular FormulaC18H22ClNO
Molecular Weight303.83 g/mol
Exact Mass303.14
IUPAC NameN-[2-(2-chloro-4-methylphenoxy)-2-phenylethyl]propan-2-amine
SMILESCc1ccc(OC(CNC(C)C)c2ccccc2)c(Cl)c1
InChIInChI=1S/C18H22ClNO/c1-13(2)20-12-18(15-7-5-4-6-8-15)21-17-10-9-14(3)11-16(17)19/h4-11,13,18,20H,12H2,1-3H3
InChIKeyUEIJDXUFAXXYOQ-UHFFFAOYSA-N
XLogP4.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.83
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2,4-dibromophenoxy)-2-phenylethyl]propan-2-amine
CID 64721768
N-[2-(3-methylphenoxy)-2-phenylethyl]propan-2-amine
CID 62452895
N-[2-(4-chloro-3-methylphenoxy)-2-phenylethyl]propan-2-amine
CID 63490256
2-(4-bromo-2-chlorophenoxy)-N-ethyl-2-phenylethanamine
CID 63498240
2-(2-chloro-5-methylphenoxy)-2-phenylethanamine
CID 55017590
2-(2,4-dichlorophenoxy)-N-ethyl-2-phenylethanamine
CID 62460096
N-ethyl-2-(2-methoxy-4-methylphenoxy)-2-phenylethanamine
CID 62451213
N-[[2-(2-chloro-4-methylphenoxy)phenyl]methyl]propan-2-amine
CID 63550934
2-(2-chloro-5-methylphenoxy)-3-(propan-2-ylamino)propanoic acid
CID 112519863
2-(2-chloro-4-methylphenoxy)-2-phenylacetohydrazide
CID 63569668
2-(2-methoxy-4-methylphenoxy)-2-phenylethanamine
CID 55017730
N-[2-(3-methylphenyl)-2-phenylmethoxyethyl]propan-2-amine
CID 62106839

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloro-4-methylphenoxy)-2-phenylethyl]propan-2-amine?
The IUPAC name of N-[2-(2-chloro-4-methylphenoxy)-2-phenylethyl]propan-2-amine (CID 63495954) is N-[2-(2-chloro-4-methylphenoxy)-2-phenylethyl]propan-2-amine.
What is the SMILES notation for N-[2-(2-chloro-4-methylphenoxy)-2-phenylethyl]propan-2-amine?
The canonical SMILES for N-[2-(2-chloro-4-methylphenoxy)-2-phenylethyl]propan-2-amine is Cc1ccc(OC(CNC(C)C)c2ccccc2)c(Cl)c1.
What is the InChIKey of N-[2-(2-chloro-4-methylphenoxy)-2-phenylethyl]propan-2-amine?
The InChIKey is UEIJDXUFAXXYOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO/c1-13(2)20-12-18(15-7-5-4-6-8-15)21-17-10-9-14(3)11-16(17)19/h4-11,13,18,20H,12H2,1-3H3.
What are the key properties of N-[2-(2-chloro-4-methylphenoxy)-2-phenylethyl]propan-2-amine?
N-[2-(2-chloro-4-methylphenoxy)-2-phenylethyl]propan-2-amine has a molecular weight of 303.83 g/mol, XLogP of 4.77, 6 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)-2-phenylethyl]propan-2-amine is sourced from PubChem (CID 63495954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).