1-[(1S,2R)-1-(3,4-dichlorophenyl)-2-phenylcyclopropyl]-N-methylmethanamine;hydrochloride

C17H18Cl3N — CID 23650493

IUPAC1-[(1S,2R)-1-(3,4-dichlorophenyl)-2-phenylcyclopropyl]-N-methylmethanamine;hydrochloride
SMILESCNC[C@@]1(c2ccc(Cl)c(Cl)c2)C[C@@H]1c1ccccc1.Cl
InChIInChI=1S/C17H17Cl2N.ClH/c1-20-11-17(13-7-8-15(18)16(19)9-13)10-14(17)12-5-3-2-4-6-12;/h2-9,14,20H,10-11H2,1H3;1H/t14-,17-;/m1./s1
InChIKeyZMAXPWJIBWZIGD-SATBOSKTSA-N
MW342.70 g/mol
LogP5.06
Rot. Bonds4

About 1-[(1S,2R)-1-(3,4-dichlorophenyl)-2-phenylcyclopropyl]-N-methylmethanamine;hydrochloride

1-[(1S,2R)-1-(3,4-dichlorophenyl)-2-phenylcyclopropyl]-N-methylmethanamine;hydrochloride (PubChem CID 23650493) has the molecular formula C17H18Cl3N and a molecular weight of 342.70 g/mol. Its IUPAC name is 1-[(1S,2R)-1-(3,4-dichlorophenyl)-2-phenylcyclopropyl]-N-methylmethanamine;hydrochloride.

Molecular Properties

Compound Name1-[(1S,2R)-1-(3,4-dichlorophenyl)-2-phenylcyclopropyl]-N-methylmethanamine;hydrochloride
PubChem CID23650493
Molecular FormulaC17H18Cl3N
Molecular Weight342.70 g/mol
Exact Mass341.05
IUPAC Name1-[(1S,2R)-1-(3,4-dichlorophenyl)-2-phenylcyclopropyl]-N-methylmethanamine;hydrochloride
SMILESCNC[C@@]1(c2ccc(Cl)c(Cl)c2)C[C@@H]1c1ccccc1.Cl
InChIInChI=1S/C17H17Cl2N.ClH/c1-20-11-17(13-7-8-15(18)16(19)9-13)10-14(17)12-5-3-2-4-6-12;/h2-9,14,20H,10-11H2,1H3;1H/t14-,17-;/m1./s1
InChIKeyZMAXPWJIBWZIGD-SATBOSKTSA-N
XLogP5.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.70
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2R)-1-(3,4-dichlorophenyl)-2-phenylcyclopropyl]-N-methylmethanamine;hydrochloride?
The IUPAC name of 1-[(1S,2R)-1-(3,4-dichlorophenyl)-2-phenylcyclopropyl]-N-methylmethanamine;hydrochloride (CID 23650493) is 1-[(1S,2R)-1-(3,4-dichlorophenyl)-2-phenylcyclopropyl]-N-methylmethanamine;hydrochloride.
What is the SMILES notation for 1-[(1S,2R)-1-(3,4-dichlorophenyl)-2-phenylcyclopropyl]-N-methylmethanamine;hydrochloride?
The canonical SMILES for 1-[(1S,2R)-1-(3,4-dichlorophenyl)-2-phenylcyclopropyl]-N-methylmethanamine;hydrochloride is CNC[C@@]1(c2ccc(Cl)c(Cl)c2)C[C@@H]1c1ccccc1.Cl.
What is the InChIKey of 1-[(1S,2R)-1-(3,4-dichlorophenyl)-2-phenylcyclopropyl]-N-methylmethanamine;hydrochloride?
The InChIKey is ZMAXPWJIBWZIGD-SATBOSKTSA-N. The full InChI is InChI=1S/C17H17Cl2N.ClH/c1-20-11-17(13-7-8-15(18)16(19)9-13)10-14(17)12-5-3-2-4-6-12;/h2-9,14,20H,10-11H2,1H3;1H/t14-,17-;/m1./s1.
What are the key properties of 1-[(1S,2R)-1-(3,4-dichlorophenyl)-2-phenylcyclopropyl]-N-methylmethanamine;hydrochloride?
1-[(1S,2R)-1-(3,4-dichlorophenyl)-2-phenylcyclopropyl]-N-methylmethanamine;hydrochloride has a molecular weight of 342.70 g/mol, XLogP of 5.06, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2R)-1-(3,4-dichlorophenyl)-2-phenylcyclopropyl]-N-methylmethanamine;hydrochloride is sourced from PubChem (CID 23650493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).