N-ethyl-4-[3-(3-methylphenyl)phenyl]but-1-en-2-amine

C19H23N — CID 143254031

IUPACN-ethyl-4-[3-(3-methylphenyl)phenyl]but-1-en-2-amine
SMILESC=C(CCc1cccc(-c2cccc(C)c2)c1)NCC
InChIInChI=1S/C19H23N/c1-4-20-16(3)11-12-17-8-6-10-19(14-17)18-9-5-7-15(2)13-18/h5-10,13-14,20H,3-4,11-12H2,1-2H3
InChIKeyKXTLUCUTXHVRSY-UHFFFAOYSA-N
MW265.40 g/mol
LogP4.72
Rot. Bonds6

About N-ethyl-4-[3-(3-methylphenyl)phenyl]but-1-en-2-amine

N-ethyl-4-[3-(3-methylphenyl)phenyl]but-1-en-2-amine (PubChem CID 143254031) has the molecular formula C19H23N and a molecular weight of 265.40 g/mol. Its IUPAC name is N-ethyl-4-[3-(3-methylphenyl)phenyl]but-1-en-2-amine.

Molecular Properties

Compound NameN-ethyl-4-[3-(3-methylphenyl)phenyl]but-1-en-2-amine
PubChem CID143254031
Molecular FormulaC19H23N
Molecular Weight265.40 g/mol
Exact Mass265.18
IUPAC NameN-ethyl-4-[3-(3-methylphenyl)phenyl]but-1-en-2-amine
SMILESC=C(CCc1cccc(-c2cccc(C)c2)c1)NCC
InChIInChI=1S/C19H23N/c1-4-20-16(3)11-12-17-8-6-10-19(14-17)18-9-5-7-15(2)13-18/h5-10,13-14,20H,3-4,11-12H2,1-2H3
InChIKeyKXTLUCUTXHVRSY-UHFFFAOYSA-N
XLogP4.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[3-(3-methylphenyl)phenyl]but-1-en-2-amine?
The IUPAC name of N-ethyl-4-[3-(3-methylphenyl)phenyl]but-1-en-2-amine (CID 143254031) is N-ethyl-4-[3-(3-methylphenyl)phenyl]but-1-en-2-amine.
What is the SMILES notation for N-ethyl-4-[3-(3-methylphenyl)phenyl]but-1-en-2-amine?
The canonical SMILES for N-ethyl-4-[3-(3-methylphenyl)phenyl]but-1-en-2-amine is C=C(CCc1cccc(-c2cccc(C)c2)c1)NCC.
What is the InChIKey of N-ethyl-4-[3-(3-methylphenyl)phenyl]but-1-en-2-amine?
The InChIKey is KXTLUCUTXHVRSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N/c1-4-20-16(3)11-12-17-8-6-10-19(14-17)18-9-5-7-15(2)13-18/h5-10,13-14,20H,3-4,11-12H2,1-2H3.
What are the key properties of N-ethyl-4-[3-(3-methylphenyl)phenyl]but-1-en-2-amine?
N-ethyl-4-[3-(3-methylphenyl)phenyl]but-1-en-2-amine has a molecular weight of 265.40 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[3-(3-methylphenyl)phenyl]but-1-en-2-amine is sourced from PubChem (CID 143254031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).