(S)-cyclobutyl-(2,6-dichlorophenyl)methanamine

C11H13Cl2N — CID 130683085

IUPAC(S)-cyclobutyl-(2,6-dichlorophenyl)methanamine
SMILESN[C@H](c1c(Cl)cccc1Cl)C1CCC1
InChIInChI=1S/C11H13Cl2N/c12-8-5-2-6-9(13)10(8)11(14)7-3-1-4-7/h2,5-7,11H,1,3-4,14H2/t11-/m0/s1
InChIKeyCSPDHTNULRSPCT-NSHDSACASA-N
MW230.14 g/mol
LogP3.79
Rot. Bonds2

About (S)-cyclobutyl-(2,6-dichlorophenyl)methanamine

(S)-cyclobutyl-(2,6-dichlorophenyl)methanamine (PubChem CID 130683085) has the molecular formula C11H13Cl2N and a molecular weight of 230.14 g/mol. Its IUPAC name is (S)-cyclobutyl-(2,6-dichlorophenyl)methanamine.

Molecular Properties

Compound Name(S)-cyclobutyl-(2,6-dichlorophenyl)methanamine
PubChem CID130683085
Molecular FormulaC11H13Cl2N
Molecular Weight230.14 g/mol
Exact Mass229.04
IUPAC Name(S)-cyclobutyl-(2,6-dichlorophenyl)methanamine
SMILESN[C@H](c1c(Cl)cccc1Cl)C1CCC1
InChIInChI=1S/C11H13Cl2N/c12-8-5-2-6-9(13)10(8)11(14)7-3-1-4-7/h2,5-7,11H,1,3-4,14H2/t11-/m0/s1
InChIKeyCSPDHTNULRSPCT-NSHDSACASA-N
XLogP3.79
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.14
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(R)-cyclopentyl-(2,6-dichlorophenyl)methanamine
CID 171197935
cyclopropyl-(2,6-dichlorophenyl)methanamine;hydrochloride
CID 119031584
(2-bromo-6-chlorophenyl)-cyclobutylmethanamine
CID 130166021
(S)-[2-chloro-6-(trifluoromethyl)phenyl]-cyclohexylmethanamine
CID 171227177
(R)-(2-chloro-6-methylphenyl)-cyclohexylmethanamine;hydrochloride
CID 171210736
(S)-cyclobutyl-(2,3,6-trichlorophenyl)methanamine;hydrochloride
CID 171232393
(1R,2S)-2-amino-1-cyclobutyl-2-(2,6-dichlorophenyl)ethanol
CID 171162059
(S)-(2-chloro-6-methylphenyl)-cyclopropylmethanamine
CID 131023837
(S)-cyclobutyl-(2,6-dimethylphenyl)methanamine
CID 131151319
(R)-cyclobutyl-(2,6-dimethylphenyl)methanamine
CID 130619614
[cyclobutyl-(2,6-dichlorophenyl)methyl]hydrazine
CID 105340127
(S)-cyclopentyl-(3,5-dichloro-4-pyridinyl)methanamine
CID 131290746

Frequently Asked Questions

What is the IUPAC name of (S)-cyclobutyl-(2,6-dichlorophenyl)methanamine?
The IUPAC name of (S)-cyclobutyl-(2,6-dichlorophenyl)methanamine (CID 130683085) is (S)-cyclobutyl-(2,6-dichlorophenyl)methanamine.
What is the SMILES notation for (S)-cyclobutyl-(2,6-dichlorophenyl)methanamine?
The canonical SMILES for (S)-cyclobutyl-(2,6-dichlorophenyl)methanamine is N[C@H](c1c(Cl)cccc1Cl)C1CCC1.
What is the InChIKey of (S)-cyclobutyl-(2,6-dichlorophenyl)methanamine?
The InChIKey is CSPDHTNULRSPCT-NSHDSACASA-N. The full InChI is InChI=1S/C11H13Cl2N/c12-8-5-2-6-9(13)10(8)11(14)7-3-1-4-7/h2,5-7,11H,1,3-4,14H2/t11-/m0/s1.
What are the key properties of (S)-cyclobutyl-(2,6-dichlorophenyl)methanamine?
(S)-cyclobutyl-(2,6-dichlorophenyl)methanamine has a molecular weight of 230.14 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-cyclobutyl-(2,6-dichlorophenyl)methanamine is sourced from PubChem (CID 130683085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).