2-[(E)-4-methoxy-1-phenylbut-1-en-2-yl]cyclopropan-1-amine;hydrochloride

C14H20ClNO — CID 122641306

IUPAC2-[(E)-4-methoxy-1-phenylbut-1-en-2-yl]cyclopropan-1-amine;hydrochloride
SMILESCOCC/C(=C\c1ccccc1)C1CC1N.Cl
InChIInChI=1S/C14H19NO.ClH/c1-16-8-7-12(13-10-14(13)15)9-11-5-3-2-4-6-11;/h2-6,9,13-14H,7-8,10,15H2,1H3;1H/b12-9+;
InChIKeyRWQGUUNVZQRWSV-NBYYMMLRSA-N
MW253.77 g/mol
LogP2.88
Rot. Bonds5

About 2-[(E)-4-methoxy-1-phenylbut-1-en-2-yl]cyclopropan-1-amine;hydrochloride

2-[(E)-4-methoxy-1-phenylbut-1-en-2-yl]cyclopropan-1-amine;hydrochloride (PubChem CID 122641306) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 2-[(E)-4-methoxy-1-phenylbut-1-en-2-yl]cyclopropan-1-amine;hydrochloride.

Molecular Properties

Compound Name2-[(E)-4-methoxy-1-phenylbut-1-en-2-yl]cyclopropan-1-amine;hydrochloride
PubChem CID122641306
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name2-[(E)-4-methoxy-1-phenylbut-1-en-2-yl]cyclopropan-1-amine;hydrochloride
SMILESCOCC/C(=C\c1ccccc1)C1CC1N.Cl
InChIInChI=1S/C14H19NO.ClH/c1-16-8-7-12(13-10-14(13)15)9-11-5-3-2-4-6-11;/h2-6,9,13-14H,7-8,10,15H2,1H3;1H/b12-9+;
InChIKeyRWQGUUNVZQRWSV-NBYYMMLRSA-N
XLogP2.88
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-4-methoxy-1-phenylbut-1-en-2-yl]cyclopropan-1-amine;hydrochloride?
The IUPAC name of 2-[(E)-4-methoxy-1-phenylbut-1-en-2-yl]cyclopropan-1-amine;hydrochloride (CID 122641306) is 2-[(E)-4-methoxy-1-phenylbut-1-en-2-yl]cyclopropan-1-amine;hydrochloride.
What is the SMILES notation for 2-[(E)-4-methoxy-1-phenylbut-1-en-2-yl]cyclopropan-1-amine;hydrochloride?
The canonical SMILES for 2-[(E)-4-methoxy-1-phenylbut-1-en-2-yl]cyclopropan-1-amine;hydrochloride is COCC/C(=C\c1ccccc1)C1CC1N.Cl.
What is the InChIKey of 2-[(E)-4-methoxy-1-phenylbut-1-en-2-yl]cyclopropan-1-amine;hydrochloride?
The InChIKey is RWQGUUNVZQRWSV-NBYYMMLRSA-N. The full InChI is InChI=1S/C14H19NO.ClH/c1-16-8-7-12(13-10-14(13)15)9-11-5-3-2-4-6-11;/h2-6,9,13-14H,7-8,10,15H2,1H3;1H/b12-9+;.
What are the key properties of 2-[(E)-4-methoxy-1-phenylbut-1-en-2-yl]cyclopropan-1-amine;hydrochloride?
2-[(E)-4-methoxy-1-phenylbut-1-en-2-yl]cyclopropan-1-amine;hydrochloride has a molecular weight of 253.77 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-4-methoxy-1-phenylbut-1-en-2-yl]cyclopropan-1-amine;hydrochloride is sourced from PubChem (CID 122641306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).