trans-(1S,2R)-2-(3-chlorophenyl)-1-naphthalen-2-ylcyclopropan-1-amine;hydrochloride

C19H17Cl2N — CID 118730232

IUPACtrans-(1S,2R)-2-(3-chlorophenyl)-1-naphthalen-2-ylcyclopropan-1-amine;hydrochloride
SMILESCl.N[C@@]1(c2ccc3ccccc3c2)C[C@@H]1c1cccc(Cl)c1
InChIInChI=1S/C19H16ClN.ClH/c20-17-7-3-6-15(11-17)18-12-19(18,21)16-9-8-13-4-1-2-5-14(13)10-16;/h1-11,18H,12,21H2;1H/t18-,19-;/m1./s1
InChIKeyZQCCZNHKBBIRRW-STYNFMPRSA-N
MW330.26 g/mol
LogP5.26
Rot. Bonds2

About trans-(1S,2R)-2-(3-chlorophenyl)-1-naphthalen-2-ylcyclopropan-1-amine;hydrochloride

trans-(1S,2R)-2-(3-chlorophenyl)-1-naphthalen-2-ylcyclopropan-1-amine;hydrochloride (PubChem CID 118730232) has the molecular formula C19H17Cl2N and a molecular weight of 330.26 g/mol. Its IUPAC name is trans-(1S,2R)-2-(3-chlorophenyl)-1-naphthalen-2-ylcyclopropan-1-amine;hydrochloride.

Molecular Properties

Compound Nametrans-(1S,2R)-2-(3-chlorophenyl)-1-naphthalen-2-ylcyclopropan-1-amine;hydrochloride
PubChem CID118730232
Molecular FormulaC19H17Cl2N
Molecular Weight330.26 g/mol
Exact Mass329.07
IUPAC Nametrans-(1S,2R)-2-(3-chlorophenyl)-1-naphthalen-2-ylcyclopropan-1-amine;hydrochloride
SMILESCl.N[C@@]1(c2ccc3ccccc3c2)C[C@@H]1c1cccc(Cl)c1
InChIInChI=1S/C19H16ClN.ClH/c20-17-7-3-6-15(11-17)18-12-19(18,21)16-9-8-13-4-1-2-5-14(13)10-16;/h1-11,18H,12,21H2;1H/t18-,19-;/m1./s1
InChIKeyZQCCZNHKBBIRRW-STYNFMPRSA-N
XLogP5.26
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.26
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2R)-2-(3-chlorophenyl)-1-naphthalen-2-ylcyclopropan-1-amine;hydrochloride?
The IUPAC name of trans-(1S,2R)-2-(3-chlorophenyl)-1-naphthalen-2-ylcyclopropan-1-amine;hydrochloride (CID 118730232) is trans-(1S,2R)-2-(3-chlorophenyl)-1-naphthalen-2-ylcyclopropan-1-amine;hydrochloride.
What is the SMILES notation for trans-(1S,2R)-2-(3-chlorophenyl)-1-naphthalen-2-ylcyclopropan-1-amine;hydrochloride?
The canonical SMILES for trans-(1S,2R)-2-(3-chlorophenyl)-1-naphthalen-2-ylcyclopropan-1-amine;hydrochloride is Cl.N[C@@]1(c2ccc3ccccc3c2)C[C@@H]1c1cccc(Cl)c1.
What is the InChIKey of trans-(1S,2R)-2-(3-chlorophenyl)-1-naphthalen-2-ylcyclopropan-1-amine;hydrochloride?
The InChIKey is ZQCCZNHKBBIRRW-STYNFMPRSA-N. The full InChI is InChI=1S/C19H16ClN.ClH/c20-17-7-3-6-15(11-17)18-12-19(18,21)16-9-8-13-4-1-2-5-14(13)10-16;/h1-11,18H,12,21H2;1H/t18-,19-;/m1./s1.
What are the key properties of trans-(1S,2R)-2-(3-chlorophenyl)-1-naphthalen-2-ylcyclopropan-1-amine;hydrochloride?
trans-(1S,2R)-2-(3-chlorophenyl)-1-naphthalen-2-ylcyclopropan-1-amine;hydrochloride has a molecular weight of 330.26 g/mol, XLogP of 5.26, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2R)-2-(3-chlorophenyl)-1-naphthalen-2-ylcyclopropan-1-amine;hydrochloride is sourced from PubChem (CID 118730232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).