cis-(1R,2S)-2-(aminomethyl)-N,N-diethyl-1-phenylcyclopropane-1-carboxamide chloride

C15H22ClN2O- — CID 45114208

IUPACcis-(1R,2S)-2-(aminomethyl)-N,N-diethyl-1-phenylcyclopropane-1-carboxamide chloride
SMILESCCN(CC)C(=O)[C@]1(c2ccccc2)C[C@@H]1CN.[Cl-]
InChIInChI=1S/C15H22N2O.ClH/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8-6-5-7-9-12;/h5-9,13H,3-4,10-11,16H2,1-2H3;1H/p-1/t13-,15+;/m1./s1
InChIKeyXNCDYJFPRPDERF-PBCQUBLHSA-M
MW281.81 g/mol
LogP-1.22
Rot. Bonds5

About cis-(1R,2S)-2-(aminomethyl)-N,N-diethyl-1-phenylcyclopropane-1-carboxamide chloride

cis-(1R,2S)-2-(aminomethyl)-N,N-diethyl-1-phenylcyclopropane-1-carboxamide chloride (PubChem CID 45114208) has the molecular formula C15H22ClN2O- and a molecular weight of 281.81 g/mol. Its IUPAC name is cis-(1R,2S)-2-(aminomethyl)-N,N-diethyl-1-phenylcyclopropane-1-carboxamide chloride.

Molecular Properties

Compound Namecis-(1R,2S)-2-(aminomethyl)-N,N-diethyl-1-phenylcyclopropane-1-carboxamide chloride
PubChem CID45114208
Molecular FormulaC15H22ClN2O-
Molecular Weight281.81 g/mol
Exact Mass281.14
IUPAC Namecis-(1R,2S)-2-(aminomethyl)-N,N-diethyl-1-phenylcyclopropane-1-carboxamide chloride
SMILESCCN(CC)C(=O)[C@]1(c2ccccc2)C[C@@H]1CN.[Cl-]
InChIInChI=1S/C15H22N2O.ClH/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8-6-5-7-9-12;/h5-9,13H,3-4,10-11,16H2,1-2H3;1H/p-1/t13-,15+;/m1./s1
InChIKeyXNCDYJFPRPDERF-PBCQUBLHSA-M
XLogP-1.22
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.81
LogP ≤ 5-1.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1S,2R)-2-(aminomethyl)-N,N-diethyl-1-phenylcyclopropane-1-carboxamide chloride
CID 154730551
cis-(1R,2S)-2-(aminomethyl)-N,N-diethyl-1-phenylcyclopropane-1-carboxamide;hydron;chloride
CID 67108486
(2R)-2-(aminomethyl)-N,N-diethyl-1-phenylcyclopropane-1-carboxamide
CID 58550489
cis-(1R,2S)-2-(aminomethyl)-N,N-diethyl-1-phenylcyclopropane-1-carboxamide;cis-(1S,2R)-2-(aminomethyl)-N,N-diethyl-1-phenylcyclopropane-1-carboxamide;dihydrochloride
CID 73416954
cis-(1R,2S)-2-(aminomethyl)-N,N-diethyl-1-phenylcyclopropane-1-carboxamide sulfate
CID 25173688
cis-(1R,2S)-2-[(dideuterioamino)methyl]-N,N-diethyl-1-phenylcyclopropane-1-carboxamide
CID 25217074
cis-(1S,2R)-N,N,2-triethyl-1-phenylcyclopropane-1-carboxamide
CID 58535208
(1R)-2-(aminomethyl)-N,N-diethyl-1-(4-methylphenyl)cyclopropane-1-carboxamide
CID 45264881
cis-(1R,2S)-2-(aminomethyl)-N,N-dimethyl-1-phenylcyclopropane-1-carboxamide
CID 3033807
2-(aminomethyl)-N-bromo-N-ethyl-1-phenylcyclopropane-1-carboxamide
CID 143278586
(1R)-2-(aminomethyl)-N,N-diethyl-1-(4-methylphenyl)cyclopropane-1-carboxamide;hydrochloride
CID 45264880
cis-(1S,2R)-2-(aminomethyl)-N,N-bis(1,1,2,2,2-pentadeuterioethyl)-1-phenylcyclopropane-1-carboxamide
CID 129009853

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-(aminomethyl)-N,N-diethyl-1-phenylcyclopropane-1-carboxamide chloride?
The IUPAC name of cis-(1R,2S)-2-(aminomethyl)-N,N-diethyl-1-phenylcyclopropane-1-carboxamide chloride (CID 45114208) is cis-(1R,2S)-2-(aminomethyl)-N,N-diethyl-1-phenylcyclopropane-1-carboxamide chloride.
What is the SMILES notation for cis-(1R,2S)-2-(aminomethyl)-N,N-diethyl-1-phenylcyclopropane-1-carboxamide chloride?
The canonical SMILES for cis-(1R,2S)-2-(aminomethyl)-N,N-diethyl-1-phenylcyclopropane-1-carboxamide chloride is CCN(CC)C(=O)[C@]1(c2ccccc2)C[C@@H]1CN.[Cl-].
What is the InChIKey of cis-(1R,2S)-2-(aminomethyl)-N,N-diethyl-1-phenylcyclopropane-1-carboxamide chloride?
The InChIKey is XNCDYJFPRPDERF-PBCQUBLHSA-M. The full InChI is InChI=1S/C15H22N2O.ClH/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8-6-5-7-9-12;/h5-9,13H,3-4,10-11,16H2,1-2H3;1H/p-1/t13-,15+;/m1./s1.
What are the key properties of cis-(1R,2S)-2-(aminomethyl)-N,N-diethyl-1-phenylcyclopropane-1-carboxamide chloride?
cis-(1R,2S)-2-(aminomethyl)-N,N-diethyl-1-phenylcyclopropane-1-carboxamide chloride has a molecular weight of 281.81 g/mol, XLogP of -1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-(aminomethyl)-N,N-diethyl-1-phenylcyclopropane-1-carboxamide chloride is sourced from PubChem (CID 45114208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).