cis-(1R,2S)-N-benzyl-1-ethyl-2-phenylcyclopropan-1-amine;hydrochloride

C18H22ClN — CID 90197726

IUPACcis-(1R,2S)-N-benzyl-1-ethyl-2-phenylcyclopropan-1-amine;hydrochloride
SMILESCC[C@@]1(NCc2ccccc2)C[C@H]1c1ccccc1.Cl
InChIInChI=1S/C18H21N.ClH/c1-2-18(19-14-15-9-5-3-6-10-15)13-17(18)16-11-7-4-8-12-16;/h3-12,17,19H,2,13-14H2,1H3;1H/t17-,18+;/m0./s1
InChIKeyYMRUXOJWWJKOQR-CJRXIRLBSA-N
MW287.83 g/mol
LogP4.53
Rot. Bonds5

About cis-(1R,2S)-N-benzyl-1-ethyl-2-phenylcyclopropan-1-amine;hydrochloride

cis-(1R,2S)-N-benzyl-1-ethyl-2-phenylcyclopropan-1-amine;hydrochloride (PubChem CID 90197726) has the molecular formula C18H22ClN and a molecular weight of 287.83 g/mol. Its IUPAC name is cis-(1R,2S)-N-benzyl-1-ethyl-2-phenylcyclopropan-1-amine;hydrochloride.

Molecular Properties

Compound Namecis-(1R,2S)-N-benzyl-1-ethyl-2-phenylcyclopropan-1-amine;hydrochloride
PubChem CID90197726
Molecular FormulaC18H22ClN
Molecular Weight287.83 g/mol
Exact Mass287.14
IUPAC Namecis-(1R,2S)-N-benzyl-1-ethyl-2-phenylcyclopropan-1-amine;hydrochloride
SMILESCC[C@@]1(NCc2ccccc2)C[C@H]1c1ccccc1.Cl
InChIInChI=1S/C18H21N.ClH/c1-2-18(19-14-15-9-5-3-6-10-15)13-17(18)16-11-7-4-8-12-16;/h3-12,17,19H,2,13-14H2,1H3;1H/t17-,18+;/m0./s1
InChIKeyYMRUXOJWWJKOQR-CJRXIRLBSA-N
XLogP4.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.83
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-N-benzyl-1-ethyl-2-phenylcyclopropan-1-amine;hydrochloride?
The IUPAC name of cis-(1R,2S)-N-benzyl-1-ethyl-2-phenylcyclopropan-1-amine;hydrochloride (CID 90197726) is cis-(1R,2S)-N-benzyl-1-ethyl-2-phenylcyclopropan-1-amine;hydrochloride.
What is the SMILES notation for cis-(1R,2S)-N-benzyl-1-ethyl-2-phenylcyclopropan-1-amine;hydrochloride?
The canonical SMILES for cis-(1R,2S)-N-benzyl-1-ethyl-2-phenylcyclopropan-1-amine;hydrochloride is CC[C@@]1(NCc2ccccc2)C[C@H]1c1ccccc1.Cl.
What is the InChIKey of cis-(1R,2S)-N-benzyl-1-ethyl-2-phenylcyclopropan-1-amine;hydrochloride?
The InChIKey is YMRUXOJWWJKOQR-CJRXIRLBSA-N. The full InChI is InChI=1S/C18H21N.ClH/c1-2-18(19-14-15-9-5-3-6-10-15)13-17(18)16-11-7-4-8-12-16;/h3-12,17,19H,2,13-14H2,1H3;1H/t17-,18+;/m0./s1.
What are the key properties of cis-(1R,2S)-N-benzyl-1-ethyl-2-phenylcyclopropan-1-amine;hydrochloride?
cis-(1R,2S)-N-benzyl-1-ethyl-2-phenylcyclopropan-1-amine;hydrochloride has a molecular weight of 287.83 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-N-benzyl-1-ethyl-2-phenylcyclopropan-1-amine;hydrochloride is sourced from PubChem (CID 90197726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).