1-amino-N-[5-[(dimethylamino)methyl]-2-methylphenyl]cyclopropane-1-carboxamide;dihydrochloride

C14H23Cl2N3O — CID 119895227

IUPAC1-amino-N-[5-[(dimethylamino)methyl]-2-methylphenyl]cyclopropane-1-carboxamide;dihydrochloride
SMILESCc1ccc(CN(C)C)cc1NC(=O)C1(N)CC1.Cl.Cl
InChIInChI=1S/C14H21N3O.2ClH/c1-10-4-5-11(9-17(2)3)8-12(10)16-13(18)14(15)6-7-14;;/h4-5,8H,6-7,9,15H2,1-3H3,(H,16,18);2*1H
InChIKeyYPLKHZXPWMWAEK-UHFFFAOYSA-N
MW320.26 g/mol
LogP2.33
Rot. Bonds4

About 1-amino-N-[5-[(dimethylamino)methyl]-2-methylphenyl]cyclopropane-1-carboxamide;dihydrochloride

1-amino-N-[5-[(dimethylamino)methyl]-2-methylphenyl]cyclopropane-1-carboxamide;dihydrochloride (PubChem CID 119895227) has the molecular formula C14H23Cl2N3O and a molecular weight of 320.26 g/mol. Its IUPAC name is 1-amino-N-[5-[(dimethylamino)methyl]-2-methylphenyl]cyclopropane-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name1-amino-N-[5-[(dimethylamino)methyl]-2-methylphenyl]cyclopropane-1-carboxamide;dihydrochloride
PubChem CID119895227
Molecular FormulaC14H23Cl2N3O
Molecular Weight320.26 g/mol
Exact Mass319.12
IUPAC Name1-amino-N-[5-[(dimethylamino)methyl]-2-methylphenyl]cyclopropane-1-carboxamide;dihydrochloride
SMILESCc1ccc(CN(C)C)cc1NC(=O)C1(N)CC1.Cl.Cl
InChIInChI=1S/C14H21N3O.2ClH/c1-10-4-5-11(9-17(2)3)8-12(10)16-13(18)14(15)6-7-14;;/h4-5,8H,6-7,9,15H2,1-3H3,(H,16,18);2*1H
InChIKeyYPLKHZXPWMWAEK-UHFFFAOYSA-N
XLogP2.33
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.26
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[5-[(dimethylamino)methyl]-2-methylphenyl]acetamide
CID 83624401
1-amino-N-(5-chloro-2-methylphenyl)cyclopropane-1-carboxamide
CID 65465047
1-amino-N-[[3-[(dimethylamino)methyl]phenyl]methyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119842475
2-amino-N-[5-[(dimethylamino)methyl]-2-methylphenyl]propanamide
CID 83624402
N-[5-[(dimethylamino)methyl]-2-methylphenyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119895285
N-[5-[(dimethylamino)methyl]-2-methylphenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride
CID 120942474
3-amino-N-[5-[(dimethylamino)methyl]-2-methylphenyl]cyclopentane-1-carboxamide
CID 119895255
1-amino-N-(2,4-dimethylphenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119670578
1-amino-N-(5-bromo-2-methylphenyl)cyclobutane-1-carboxamide
CID 81179728
2-amino-N-[5-[(dimethylamino)methyl]-2-methylphenyl]-2-(4-methylphenyl)acetamide
CID 120670492
3-amino-N-[5-[(dimethylamino)methyl]-2-methylphenyl]-3-phenylpropanamide;dihydrochloride
CID 119954106
1-amino-N-[2-(5-bromo-2-methylanilino)-2-oxoethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119762937

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[5-[(dimethylamino)methyl]-2-methylphenyl]cyclopropane-1-carboxamide;dihydrochloride?
The IUPAC name of 1-amino-N-[5-[(dimethylamino)methyl]-2-methylphenyl]cyclopropane-1-carboxamide;dihydrochloride (CID 119895227) is 1-amino-N-[5-[(dimethylamino)methyl]-2-methylphenyl]cyclopropane-1-carboxamide;dihydrochloride.
What is the SMILES notation for 1-amino-N-[5-[(dimethylamino)methyl]-2-methylphenyl]cyclopropane-1-carboxamide;dihydrochloride?
The canonical SMILES for 1-amino-N-[5-[(dimethylamino)methyl]-2-methylphenyl]cyclopropane-1-carboxamide;dihydrochloride is Cc1ccc(CN(C)C)cc1NC(=O)C1(N)CC1.Cl.Cl.
What is the InChIKey of 1-amino-N-[5-[(dimethylamino)methyl]-2-methylphenyl]cyclopropane-1-carboxamide;dihydrochloride?
The InChIKey is YPLKHZXPWMWAEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O.2ClH/c1-10-4-5-11(9-17(2)3)8-12(10)16-13(18)14(15)6-7-14;;/h4-5,8H,6-7,9,15H2,1-3H3,(H,16,18);2*1H.
What are the key properties of 1-amino-N-[5-[(dimethylamino)methyl]-2-methylphenyl]cyclopropane-1-carboxamide;dihydrochloride?
1-amino-N-[5-[(dimethylamino)methyl]-2-methylphenyl]cyclopropane-1-carboxamide;dihydrochloride has a molecular weight of 320.26 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[5-[(dimethylamino)methyl]-2-methylphenyl]cyclopropane-1-carboxamide;dihydrochloride is sourced from PubChem (CID 119895227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).