N-methyl-4-[2-methyl-1-[4-(methylamino)phenyl]prop-1-enyl]aniline

C18H22N2 — CID 21400968

IUPACN-methyl-4-[2-methyl-1-[4-(methylamino)phenyl]prop-1-enyl]aniline
SMILESCNc1ccc(C(=C(C)C)c2ccc(NC)cc2)cc1
InChIInChI=1S/C18H22N2/c1-13(2)18(14-5-9-16(19-3)10-6-14)15-7-11-17(20-4)12-8-15/h5-12,19-20H,1-4H3
InChIKeyIHMWFIZELJAPPW-UHFFFAOYSA-N
MW266.39 g/mol
LogP4.61
Rot. Bonds4

About N-methyl-4-[2-methyl-1-[4-(methylamino)phenyl]prop-1-enyl]aniline

N-methyl-4-[2-methyl-1-[4-(methylamino)phenyl]prop-1-enyl]aniline (PubChem CID 21400968) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is N-methyl-4-[2-methyl-1-[4-(methylamino)phenyl]prop-1-enyl]aniline.

Molecular Properties

Compound NameN-methyl-4-[2-methyl-1-[4-(methylamino)phenyl]prop-1-enyl]aniline
PubChem CID21400968
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC NameN-methyl-4-[2-methyl-1-[4-(methylamino)phenyl]prop-1-enyl]aniline
SMILESCNc1ccc(C(=C(C)C)c2ccc(NC)cc2)cc1
InChIInChI=1S/C18H22N2/c1-13(2)18(14-5-9-16(19-3)10-6-14)15-7-11-17(20-4)12-8-15/h5-12,19-20H,1-4H3
InChIKeyIHMWFIZELJAPPW-UHFFFAOYSA-N
XLogP4.61
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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N-methyl-4-(2-methylprop-1-enyl)aniline
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4-N-methoxy-1-N-methylbenzene-1,4-diamine
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N-methyl-4-(3-methyl-1-propyliminobut-2-en-2-yl)aniline
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N-[2-(carbamoylamino)ethyl]-4-(methylamino)benzamide
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CID 123980277
CID 123980277
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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[2-methyl-1-[4-(methylamino)phenyl]prop-1-enyl]aniline?
The IUPAC name of N-methyl-4-[2-methyl-1-[4-(methylamino)phenyl]prop-1-enyl]aniline (CID 21400968) is N-methyl-4-[2-methyl-1-[4-(methylamino)phenyl]prop-1-enyl]aniline.
What is the SMILES notation for N-methyl-4-[2-methyl-1-[4-(methylamino)phenyl]prop-1-enyl]aniline?
The canonical SMILES for N-methyl-4-[2-methyl-1-[4-(methylamino)phenyl]prop-1-enyl]aniline is CNc1ccc(C(=C(C)C)c2ccc(NC)cc2)cc1.
What is the InChIKey of N-methyl-4-[2-methyl-1-[4-(methylamino)phenyl]prop-1-enyl]aniline?
The InChIKey is IHMWFIZELJAPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2/c1-13(2)18(14-5-9-16(19-3)10-6-14)15-7-11-17(20-4)12-8-15/h5-12,19-20H,1-4H3.
What are the key properties of N-methyl-4-[2-methyl-1-[4-(methylamino)phenyl]prop-1-enyl]aniline?
N-methyl-4-[2-methyl-1-[4-(methylamino)phenyl]prop-1-enyl]aniline has a molecular weight of 266.39 g/mol, XLogP of 4.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[2-methyl-1-[4-(methylamino)phenyl]prop-1-enyl]aniline is sourced from PubChem (CID 21400968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).