N-[2-(diethylaminomethyl)phenyl]cyclopropanecarboxamide;hydrochloride

C15H23ClN2O — CID 67513883

IUPACN-[2-(diethylaminomethyl)phenyl]cyclopropanecarboxamide;hydrochloride
SMILESCCN(CC)Cc1ccccc1NC(=O)C1CC1.Cl
InChIInChI=1S/C15H22N2O.ClH/c1-3-17(4-2)11-13-7-5-6-8-14(13)16-15(18)12-9-10-12;/h5-8,12H,3-4,9-11H2,1-2H3,(H,16,18);1H
InChIKeyHRFFLZCQSOKTKF-UHFFFAOYSA-N
MW282.81 g/mol
LogP3.30
Rot. Bonds6

About N-[2-(diethylaminomethyl)phenyl]cyclopropanecarboxamide;hydrochloride

N-[2-(diethylaminomethyl)phenyl]cyclopropanecarboxamide;hydrochloride (PubChem CID 67513883) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is N-[2-(diethylaminomethyl)phenyl]cyclopropanecarboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(diethylaminomethyl)phenyl]cyclopropanecarboxamide;hydrochloride
PubChem CID67513883
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC NameN-[2-(diethylaminomethyl)phenyl]cyclopropanecarboxamide;hydrochloride
SMILESCCN(CC)Cc1ccccc1NC(=O)C1CC1.Cl
InChIInChI=1S/C15H22N2O.ClH/c1-3-17(4-2)11-13-7-5-6-8-14(13)16-15(18)12-9-10-12;/h5-8,12H,3-4,9-11H2,1-2H3,(H,16,18);1H
InChIKeyHRFFLZCQSOKTKF-UHFFFAOYSA-N
XLogP3.30
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,4-N-bis(2-ethylphenyl)cyclohexane-1,4-dicarboxamide
CID 40704434
N-[2-(diethylaminomethyl)phenyl]pyrrolidine-2-carboxamide
CID 43712468
4-N,4-N-diethyl-1-N-(2-ethylphenyl)cyclohexane-1,4-dicarboxamide
CID 109149427
N-[2-[(dimethylamino)methyl]phenyl]cyclohexanecarboxamide
CID 31969965
tert-butyl N-[[2-(cyclopropanecarbonylamino)phenyl]methyl]-N-ethylcarbamate
CID 47034144
N-(2-ethylphenyl)cyclopentanecarboxamide
CID 897142
1-acetyl-N-[2-[(dimethylamino)methyl]phenyl]piperidine-4-carboxamide
CID 47029013
N-[2-(diethylaminomethyl)phenyl]-1,3-thiazolidine-4-carboxamide
CID 43712493
1-N-cyclopropyl-4-N-(2-ethylphenyl)cyclohexane-1,4-dicarboxamide
CID 109144748
1-N-(2-ethylphenyl)-4-N,4-N-dipropylcyclohexane-1,4-dicarboxamide
CID 109150141
ethyl N-[2-(diethylaminomethyl)phenyl]carbamate
CID 61215408
3-[2-(diethylaminomethyl)anilino]-2-methyl-3-oxopropanoic acid
CID 114898009

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylaminomethyl)phenyl]cyclopropanecarboxamide;hydrochloride?
The IUPAC name of N-[2-(diethylaminomethyl)phenyl]cyclopropanecarboxamide;hydrochloride (CID 67513883) is N-[2-(diethylaminomethyl)phenyl]cyclopropanecarboxamide;hydrochloride.
What is the SMILES notation for N-[2-(diethylaminomethyl)phenyl]cyclopropanecarboxamide;hydrochloride?
The canonical SMILES for N-[2-(diethylaminomethyl)phenyl]cyclopropanecarboxamide;hydrochloride is CCN(CC)Cc1ccccc1NC(=O)C1CC1.Cl.
What is the InChIKey of N-[2-(diethylaminomethyl)phenyl]cyclopropanecarboxamide;hydrochloride?
The InChIKey is HRFFLZCQSOKTKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O.ClH/c1-3-17(4-2)11-13-7-5-6-8-14(13)16-15(18)12-9-10-12;/h5-8,12H,3-4,9-11H2,1-2H3,(H,16,18);1H.
What are the key properties of N-[2-(diethylaminomethyl)phenyl]cyclopropanecarboxamide;hydrochloride?
N-[2-(diethylaminomethyl)phenyl]cyclopropanecarboxamide;hydrochloride has a molecular weight of 282.81 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylaminomethyl)phenyl]cyclopropanecarboxamide;hydrochloride is sourced from PubChem (CID 67513883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).