(1R)-2-(aminomethyl)-N,N-diethyl-1-(4-methylphenyl)cyclopropane-1-carboxamide;hydrochloride

C16H25ClN2O — CID 45264880

IUPAC(1R)-2-(aminomethyl)-N,N-diethyl-1-(4-methylphenyl)cyclopropane-1-carboxamide;hydrochloride
SMILESCCN(CC)C(=O)[C@]1(c2ccc(C)cc2)CC1CN.Cl
InChIInChI=1S/C16H24N2O.ClH/c1-4-18(5-2)15(19)16(10-14(16)11-17)13-8-6-12(3)7-9-13;/h6-9,14H,4-5,10-11,17H2,1-3H3;1H/t14?,16-;/m0./s1
InChIKeyBJYOUISVJOJDDP-OIBOYYEISA-N
MW296.84 g/mol
LogP2.50
Rot. Bonds5

About (1R)-2-(aminomethyl)-N,N-diethyl-1-(4-methylphenyl)cyclopropane-1-carboxamide;hydrochloride

(1R)-2-(aminomethyl)-N,N-diethyl-1-(4-methylphenyl)cyclopropane-1-carboxamide;hydrochloride (PubChem CID 45264880) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is (1R)-2-(aminomethyl)-N,N-diethyl-1-(4-methylphenyl)cyclopropane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name(1R)-2-(aminomethyl)-N,N-diethyl-1-(4-methylphenyl)cyclopropane-1-carboxamide;hydrochloride
PubChem CID45264880
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC Name(1R)-2-(aminomethyl)-N,N-diethyl-1-(4-methylphenyl)cyclopropane-1-carboxamide;hydrochloride
SMILESCCN(CC)C(=O)[C@]1(c2ccc(C)cc2)CC1CN.Cl
InChIInChI=1S/C16H24N2O.ClH/c1-4-18(5-2)15(19)16(10-14(16)11-17)13-8-6-12(3)7-9-13;/h6-9,14H,4-5,10-11,17H2,1-3H3;1H/t14?,16-;/m0./s1
InChIKeyBJYOUISVJOJDDP-OIBOYYEISA-N
XLogP2.50
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-2-(aminomethyl)-N,N-diethyl-1-(4-methylphenyl)cyclopropane-1-carboxamide;hydrochloride?
The IUPAC name of (1R)-2-(aminomethyl)-N,N-diethyl-1-(4-methylphenyl)cyclopropane-1-carboxamide;hydrochloride (CID 45264880) is (1R)-2-(aminomethyl)-N,N-diethyl-1-(4-methylphenyl)cyclopropane-1-carboxamide;hydrochloride.
What is the SMILES notation for (1R)-2-(aminomethyl)-N,N-diethyl-1-(4-methylphenyl)cyclopropane-1-carboxamide;hydrochloride?
The canonical SMILES for (1R)-2-(aminomethyl)-N,N-diethyl-1-(4-methylphenyl)cyclopropane-1-carboxamide;hydrochloride is CCN(CC)C(=O)[C@]1(c2ccc(C)cc2)CC1CN.Cl.
What is the InChIKey of (1R)-2-(aminomethyl)-N,N-diethyl-1-(4-methylphenyl)cyclopropane-1-carboxamide;hydrochloride?
The InChIKey is BJYOUISVJOJDDP-OIBOYYEISA-N. The full InChI is InChI=1S/C16H24N2O.ClH/c1-4-18(5-2)15(19)16(10-14(16)11-17)13-8-6-12(3)7-9-13;/h6-9,14H,4-5,10-11,17H2,1-3H3;1H/t14?,16-;/m0./s1.
What are the key properties of (1R)-2-(aminomethyl)-N,N-diethyl-1-(4-methylphenyl)cyclopropane-1-carboxamide;hydrochloride?
(1R)-2-(aminomethyl)-N,N-diethyl-1-(4-methylphenyl)cyclopropane-1-carboxamide;hydrochloride has a molecular weight of 296.84 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-(aminomethyl)-N,N-diethyl-1-(4-methylphenyl)cyclopropane-1-carboxamide;hydrochloride is sourced from PubChem (CID 45264880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).