[(1S,2S)-2-[3-(4-chlorophenyl)phenyl]cyclopropyl]methanamine;hydrochloride

C16H17Cl2N — CID 44572257

IUPAC[(1S,2S)-2-[3-(4-chlorophenyl)phenyl]cyclopropyl]methanamine;hydrochloride
SMILESCl.NC[C@H]1C[C@@H]1c1cccc(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C16H16ClN.ClH/c17-15-6-4-11(5-7-15)12-2-1-3-13(8-12)16-9-14(16)10-18;/h1-8,14,16H,9-10,18H2;1H/t14-,16-;/m1./s1
InChIKeySUTPDSQFTVTPTM-VNYZMKMESA-N
MW294.23 g/mol
LogP4.49
Rot. Bonds3

About [(1S,2S)-2-[3-(4-chlorophenyl)phenyl]cyclopropyl]methanamine;hydrochloride

[(1S,2S)-2-[3-(4-chlorophenyl)phenyl]cyclopropyl]methanamine;hydrochloride (PubChem CID 44572257) has the molecular formula C16H17Cl2N and a molecular weight of 294.23 g/mol. Its IUPAC name is [(1S,2S)-2-[3-(4-chlorophenyl)phenyl]cyclopropyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[(1S,2S)-2-[3-(4-chlorophenyl)phenyl]cyclopropyl]methanamine;hydrochloride
PubChem CID44572257
Molecular FormulaC16H17Cl2N
Molecular Weight294.23 g/mol
Exact Mass293.07
IUPAC Name[(1S,2S)-2-[3-(4-chlorophenyl)phenyl]cyclopropyl]methanamine;hydrochloride
SMILESCl.NC[C@H]1C[C@@H]1c1cccc(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C16H16ClN.ClH/c17-15-6-4-11(5-7-15)12-2-1-3-13(8-12)16-9-14(16)10-18;/h1-8,14,16H,9-10,18H2;1H/t14-,16-;/m1./s1
InChIKeySUTPDSQFTVTPTM-VNYZMKMESA-N
XLogP4.49
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.23
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-2-[3-(4-chlorophenyl)phenyl]cyclopropyl]methanamine;hydrochloride?
The IUPAC name of [(1S,2S)-2-[3-(4-chlorophenyl)phenyl]cyclopropyl]methanamine;hydrochloride (CID 44572257) is [(1S,2S)-2-[3-(4-chlorophenyl)phenyl]cyclopropyl]methanamine;hydrochloride.
What is the SMILES notation for [(1S,2S)-2-[3-(4-chlorophenyl)phenyl]cyclopropyl]methanamine;hydrochloride?
The canonical SMILES for [(1S,2S)-2-[3-(4-chlorophenyl)phenyl]cyclopropyl]methanamine;hydrochloride is Cl.NC[C@H]1C[C@@H]1c1cccc(-c2ccc(Cl)cc2)c1.
What is the InChIKey of [(1S,2S)-2-[3-(4-chlorophenyl)phenyl]cyclopropyl]methanamine;hydrochloride?
The InChIKey is SUTPDSQFTVTPTM-VNYZMKMESA-N. The full InChI is InChI=1S/C16H16ClN.ClH/c17-15-6-4-11(5-7-15)12-2-1-3-13(8-12)16-9-14(16)10-18;/h1-8,14,16H,9-10,18H2;1H/t14-,16-;/m1./s1.
What are the key properties of [(1S,2S)-2-[3-(4-chlorophenyl)phenyl]cyclopropyl]methanamine;hydrochloride?
[(1S,2S)-2-[3-(4-chlorophenyl)phenyl]cyclopropyl]methanamine;hydrochloride has a molecular weight of 294.23 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-2-[3-(4-chlorophenyl)phenyl]cyclopropyl]methanamine;hydrochloride is sourced from PubChem (CID 44572257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).