(E)-3-[2-[(dimethylamino)methyl]phenyl]prop-2-en-1-amine

C12H18N2 — CID 117282065

IUPAC(E)-3-[2-[(dimethylamino)methyl]phenyl]prop-2-en-1-amine
SMILESCN(C)Cc1ccccc1/C=C/CN
InChIInChI=1S/C12H18N2/c1-14(2)10-12-7-4-3-6-11(12)8-5-9-13/h3-8H,9-10,13H2,1-2H3/b8-5+
InChIKeyOPJGMSXUNLAYSS-VMPITWQZSA-N
MW190.29 g/mol
LogP1.72
Rot. Bonds4

About (E)-3-[2-[(dimethylamino)methyl]phenyl]prop-2-en-1-amine

(E)-3-[2-[(dimethylamino)methyl]phenyl]prop-2-en-1-amine (PubChem CID 117282065) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is (E)-3-[2-[(dimethylamino)methyl]phenyl]prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-[2-[(dimethylamino)methyl]phenyl]prop-2-en-1-amine
PubChem CID117282065
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name(E)-3-[2-[(dimethylamino)methyl]phenyl]prop-2-en-1-amine
SMILESCN(C)Cc1ccccc1/C=C/CN
InChIInChI=1S/C12H18N2/c1-14(2)10-12-7-4-3-6-11(12)8-5-9-13/h3-8H,9-10,13H2,1-2H3/b8-5+
InChIKeyOPJGMSXUNLAYSS-VMPITWQZSA-N
XLogP1.72
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-3-[2-[(dimethylamino)methyl]phenyl]prop-2-en-1-amine?
The IUPAC name of (E)-3-[2-[(dimethylamino)methyl]phenyl]prop-2-en-1-amine (CID 117282065) is (E)-3-[2-[(dimethylamino)methyl]phenyl]prop-2-en-1-amine.
What is the SMILES notation for (E)-3-[2-[(dimethylamino)methyl]phenyl]prop-2-en-1-amine?
The canonical SMILES for (E)-3-[2-[(dimethylamino)methyl]phenyl]prop-2-en-1-amine is CN(C)Cc1ccccc1/C=C/CN.
What is the InChIKey of (E)-3-[2-[(dimethylamino)methyl]phenyl]prop-2-en-1-amine?
The InChIKey is OPJGMSXUNLAYSS-VMPITWQZSA-N. The full InChI is InChI=1S/C12H18N2/c1-14(2)10-12-7-4-3-6-11(12)8-5-9-13/h3-8H,9-10,13H2,1-2H3/b8-5+.
What are the key properties of (E)-3-[2-[(dimethylamino)methyl]phenyl]prop-2-en-1-amine?
(E)-3-[2-[(dimethylamino)methyl]phenyl]prop-2-en-1-amine has a molecular weight of 190.29 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2-[(dimethylamino)methyl]phenyl]prop-2-en-1-amine is sourced from PubChem (CID 117282065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).