(E)-2-methyl-N-[(2-methylcyclopropyl)methyl]-3-phenylprop-2-en-1-amine;hydrochloride

C15H22ClN — CID 115605478

IUPAC(E)-2-methyl-N-[(2-methylcyclopropyl)methyl]-3-phenylprop-2-en-1-amine;hydrochloride
SMILESC/C(=C\c1ccccc1)CNCC1CC1C.Cl
InChIInChI=1S/C15H21N.ClH/c1-12(8-14-6-4-3-5-7-14)10-16-11-15-9-13(15)2;/h3-8,13,15-16H,9-11H2,1-2H3;1H/b12-8+;
InChIKeyHYRVMRYPUCAMIK-MXZHIVQLSA-N
MW251.80 g/mol
LogP3.76
Rot. Bonds5

About (E)-2-methyl-N-[(2-methylcyclopropyl)methyl]-3-phenylprop-2-en-1-amine;hydrochloride

(E)-2-methyl-N-[(2-methylcyclopropyl)methyl]-3-phenylprop-2-en-1-amine;hydrochloride (PubChem CID 115605478) has the molecular formula C15H22ClN and a molecular weight of 251.80 g/mol. Its IUPAC name is (E)-2-methyl-N-[(2-methylcyclopropyl)methyl]-3-phenylprop-2-en-1-amine;hydrochloride.

Molecular Properties

Compound Name(E)-2-methyl-N-[(2-methylcyclopropyl)methyl]-3-phenylprop-2-en-1-amine;hydrochloride
PubChem CID115605478
Molecular FormulaC15H22ClN
Molecular Weight251.80 g/mol
Exact Mass251.14
IUPAC Name(E)-2-methyl-N-[(2-methylcyclopropyl)methyl]-3-phenylprop-2-en-1-amine;hydrochloride
SMILESC/C(=C\c1ccccc1)CNCC1CC1C.Cl
InChIInChI=1S/C15H21N.ClH/c1-12(8-14-6-4-3-5-7-14)10-16-11-15-9-13(15)2;/h3-8,13,15-16H,9-11H2,1-2H3;1H/b12-8+;
InChIKeyHYRVMRYPUCAMIK-MXZHIVQLSA-N
XLogP3.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.80
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-N-[(E)-2-methyl-3-phenylprop-2-enyl]butan-1-amine;hydrochloride
CID 115605434
(E)-2-methyl-N-(2-methylsulfanylethyl)-3-phenylprop-2-en-1-amine;hydrochloride
CID 115605448
2-[[(E)-2-methyl-3-phenylprop-2-enyl]amino]acetamide
CID 69252913
3-[(2-methyl-3-phenylprop-2-enyl)amino]propan-1-ol
CID 68679938
tert-butyl (3aS,7aS)-2-[[[(E)-2-methyl-3-phenylprop-2-enyl]amino]methyl]-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxylate
CID 173498978
tert-butyl 2-[[(2-methyl-3-phenylprop-2-enyl)amino]methyl]pyrrolidine-1-carboxylate
CID 68682190
N-tert-butyl-2-methyl-3-phenylprop-2-en-1-amine
CID 72556558
1-(1,3-dihydroisoindol-2-yl)-2-[(2-methyl-3-phenylprop-2-enyl)amino]ethanone
CID 127265895
2-methyl-3-phenyl-N-(2-piperidin-1-ylethyl)prop-2-en-1-amine
CID 68682291
(E)-N-(1-cyclopropylethyl)-2-methyl-3-phenylprop-2-en-1-amine
CID 115605460
(E)-2-methyl-N-(3-methylsulfanylpropyl)-3-phenylprop-2-en-1-amine
CID 115639100
3-[[(Z)-2-methyl-3-phenylprop-2-enyl]amino]propanamide
CID 115875443

Frequently Asked Questions

What is the IUPAC name of (E)-2-methyl-N-[(2-methylcyclopropyl)methyl]-3-phenylprop-2-en-1-amine;hydrochloride?
The IUPAC name of (E)-2-methyl-N-[(2-methylcyclopropyl)methyl]-3-phenylprop-2-en-1-amine;hydrochloride (CID 115605478) is (E)-2-methyl-N-[(2-methylcyclopropyl)methyl]-3-phenylprop-2-en-1-amine;hydrochloride.
What is the SMILES notation for (E)-2-methyl-N-[(2-methylcyclopropyl)methyl]-3-phenylprop-2-en-1-amine;hydrochloride?
The canonical SMILES for (E)-2-methyl-N-[(2-methylcyclopropyl)methyl]-3-phenylprop-2-en-1-amine;hydrochloride is C/C(=C\c1ccccc1)CNCC1CC1C.Cl.
What is the InChIKey of (E)-2-methyl-N-[(2-methylcyclopropyl)methyl]-3-phenylprop-2-en-1-amine;hydrochloride?
The InChIKey is HYRVMRYPUCAMIK-MXZHIVQLSA-N. The full InChI is InChI=1S/C15H21N.ClH/c1-12(8-14-6-4-3-5-7-14)10-16-11-15-9-13(15)2;/h3-8,13,15-16H,9-11H2,1-2H3;1H/b12-8+;.
What are the key properties of (E)-2-methyl-N-[(2-methylcyclopropyl)methyl]-3-phenylprop-2-en-1-amine;hydrochloride?
(E)-2-methyl-N-[(2-methylcyclopropyl)methyl]-3-phenylprop-2-en-1-amine;hydrochloride has a molecular weight of 251.80 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-N-[(2-methylcyclopropyl)methyl]-3-phenylprop-2-en-1-amine;hydrochloride is sourced from PubChem (CID 115605478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).