N-[1-(5-chloro-4-methoxy-2-propan-2-ylphenyl)ethyl]propan-2-amine

C15H24ClNO — CID 70851885

IUPACN-[1-(5-chloro-4-methoxy-2-propan-2-ylphenyl)ethyl]propan-2-amine
SMILESCOc1cc(C(C)C)c(C(C)NC(C)C)cc1Cl
InChIInChI=1S/C15H24ClNO/c1-9(2)12-8-15(18-6)14(16)7-13(12)11(5)17-10(3)4/h7-11,17H,1-6H3
InChIKeyYDICTYCZNAAKJV-UHFFFAOYSA-N
MW269.82 g/mol
LogP4.53
Rot. Bonds5

About N-[1-(5-chloro-4-methoxy-2-propan-2-ylphenyl)ethyl]propan-2-amine

N-[1-(5-chloro-4-methoxy-2-propan-2-ylphenyl)ethyl]propan-2-amine (PubChem CID 70851885) has the molecular formula C15H24ClNO and a molecular weight of 269.82 g/mol. Its IUPAC name is N-[1-(5-chloro-4-methoxy-2-propan-2-ylphenyl)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[1-(5-chloro-4-methoxy-2-propan-2-ylphenyl)ethyl]propan-2-amine
PubChem CID70851885
Molecular FormulaC15H24ClNO
Molecular Weight269.82 g/mol
Exact Mass269.15
IUPAC NameN-[1-(5-chloro-4-methoxy-2-propan-2-ylphenyl)ethyl]propan-2-amine
SMILESCOc1cc(C(C)C)c(C(C)NC(C)C)cc1Cl
InChIInChI=1S/C15H24ClNO/c1-9(2)12-8-15(18-6)14(16)7-13(12)11(5)17-10(3)4/h7-11,17H,1-6H3
InChIKeyYDICTYCZNAAKJV-UHFFFAOYSA-N
XLogP4.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chloro-4-methoxy-2-propan-2-ylphenyl)ethyl]propan-2-amine?
The IUPAC name of N-[1-(5-chloro-4-methoxy-2-propan-2-ylphenyl)ethyl]propan-2-amine (CID 70851885) is N-[1-(5-chloro-4-methoxy-2-propan-2-ylphenyl)ethyl]propan-2-amine.
What is the SMILES notation for N-[1-(5-chloro-4-methoxy-2-propan-2-ylphenyl)ethyl]propan-2-amine?
The canonical SMILES for N-[1-(5-chloro-4-methoxy-2-propan-2-ylphenyl)ethyl]propan-2-amine is COc1cc(C(C)C)c(C(C)NC(C)C)cc1Cl.
What is the InChIKey of N-[1-(5-chloro-4-methoxy-2-propan-2-ylphenyl)ethyl]propan-2-amine?
The InChIKey is YDICTYCZNAAKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO/c1-9(2)12-8-15(18-6)14(16)7-13(12)11(5)17-10(3)4/h7-11,17H,1-6H3.
What are the key properties of N-[1-(5-chloro-4-methoxy-2-propan-2-ylphenyl)ethyl]propan-2-amine?
N-[1-(5-chloro-4-methoxy-2-propan-2-ylphenyl)ethyl]propan-2-amine has a molecular weight of 269.82 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chloro-4-methoxy-2-propan-2-ylphenyl)ethyl]propan-2-amine is sourced from PubChem (CID 70851885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).