cyclopropyl-(2,6-dichlorophenyl)methanamine;hydrochloride

C10H12Cl3N — CID 119031584

IUPACcyclopropyl-(2,6-dichlorophenyl)methanamine;hydrochloride
SMILESCl.NC(c1c(Cl)cccc1Cl)C1CC1
InChIInChI=1S/C10H11Cl2N.ClH/c11-7-2-1-3-8(12)9(7)10(13)6-4-5-6;/h1-3,6,10H,4-5,13H2;1H
InChIKeyQSNJNYNVBAQNIP-UHFFFAOYSA-N
MW252.57 g/mol
LogP3.83
Rot. Bonds2

About cyclopropyl-(2,6-dichlorophenyl)methanamine;hydrochloride

cyclopropyl-(2,6-dichlorophenyl)methanamine;hydrochloride (PubChem CID 119031584) has the molecular formula C10H12Cl3N and a molecular weight of 252.57 g/mol. Its IUPAC name is cyclopropyl-(2,6-dichlorophenyl)methanamine;hydrochloride.

Molecular Properties

Compound Namecyclopropyl-(2,6-dichlorophenyl)methanamine;hydrochloride
PubChem CID119031584
Molecular FormulaC10H12Cl3N
Molecular Weight252.57 g/mol
Exact Mass251.00
IUPAC Namecyclopropyl-(2,6-dichlorophenyl)methanamine;hydrochloride
SMILESCl.NC(c1c(Cl)cccc1Cl)C1CC1
InChIInChI=1S/C10H11Cl2N.ClH/c11-7-2-1-3-8(12)9(7)10(13)6-4-5-6;/h1-3,6,10H,4-5,13H2;1H
InChIKeyQSNJNYNVBAQNIP-UHFFFAOYSA-N
XLogP3.83
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.57
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(R)-cyclopentyl-(2,6-dichlorophenyl)methanamine
CID 171197935
(S)-cyclobutyl-(2,6-dichlorophenyl)methanamine
CID 130683085
(S)-(2-chloro-6-methylphenyl)-cyclopropylmethanamine
CID 131023837
(R)-(2-chloro-6-methylphenyl)-cyclohexylmethanamine;hydrochloride
CID 171210736
(2-bromo-6-chlorophenyl)-cyclobutylmethanamine
CID 130166021
(S)-[2-chloro-6-(trifluoromethyl)phenyl]-cyclohexylmethanamine
CID 171227177
cyclopropyl-(2,3-dichlorophenyl)methanamine
CID 62789310
(S)-cyclobutyl-(2,3,6-trichlorophenyl)methanamine;hydrochloride
CID 171232393
2-[(R)-amino(cyclopropyl)methyl]-6-bromo-3-chlorophenol;hydrochloride
CID 171256340
2-cyclopropyl-1-(2,6-dichlorophenyl)ethanamine
CID 112693518
(S)-cyclopropyl-(2,6-dimethoxyphenyl)methanamine;hydrochloride
CID 171220722
(R)-(3-chloro-2-fluorophenyl)-cyclopentylmethanamine;hydrochloride
CID 171209319

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-(2,6-dichlorophenyl)methanamine;hydrochloride?
The IUPAC name of cyclopropyl-(2,6-dichlorophenyl)methanamine;hydrochloride (CID 119031584) is cyclopropyl-(2,6-dichlorophenyl)methanamine;hydrochloride.
What is the SMILES notation for cyclopropyl-(2,6-dichlorophenyl)methanamine;hydrochloride?
The canonical SMILES for cyclopropyl-(2,6-dichlorophenyl)methanamine;hydrochloride is Cl.NC(c1c(Cl)cccc1Cl)C1CC1.
What is the InChIKey of cyclopropyl-(2,6-dichlorophenyl)methanamine;hydrochloride?
The InChIKey is QSNJNYNVBAQNIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2N.ClH/c11-7-2-1-3-8(12)9(7)10(13)6-4-5-6;/h1-3,6,10H,4-5,13H2;1H.
What are the key properties of cyclopropyl-(2,6-dichlorophenyl)methanamine;hydrochloride?
cyclopropyl-(2,6-dichlorophenyl)methanamine;hydrochloride has a molecular weight of 252.57 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-(2,6-dichlorophenyl)methanamine;hydrochloride is sourced from PubChem (CID 119031584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).