2-(4-bromophenyl)-1-(naphthalen-2-ylmethyl)cyclopropan-1-amine;hydrochloride

C20H19BrClN — CID 90198033

IUPAC2-(4-bromophenyl)-1-(naphthalen-2-ylmethyl)cyclopropan-1-amine;hydrochloride
SMILESCl.NC1(Cc2ccc3ccccc3c2)CC1c1ccc(Br)cc1
InChIInChI=1S/C20H18BrN.ClH/c21-18-9-7-16(8-10-18)19-13-20(19,22)12-14-5-6-15-3-1-2-4-17(15)11-14;/h1-11,19H,12-13,22H2;1H
InChIKeyYKTJGJGZEMBWFF-UHFFFAOYSA-N
MW388.74 g/mol
LogP5.45
Rot. Bonds3

About 2-(4-bromophenyl)-1-(naphthalen-2-ylmethyl)cyclopropan-1-amine;hydrochloride

2-(4-bromophenyl)-1-(naphthalen-2-ylmethyl)cyclopropan-1-amine;hydrochloride (PubChem CID 90198033) has the molecular formula C20H19BrClN and a molecular weight of 388.74 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-(naphthalen-2-ylmethyl)cyclopropan-1-amine;hydrochloride.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-(naphthalen-2-ylmethyl)cyclopropan-1-amine;hydrochloride
PubChem CID90198033
Molecular FormulaC20H19BrClN
Molecular Weight388.74 g/mol
Exact Mass387.04
IUPAC Name2-(4-bromophenyl)-1-(naphthalen-2-ylmethyl)cyclopropan-1-amine;hydrochloride
SMILESCl.NC1(Cc2ccc3ccccc3c2)CC1c1ccc(Br)cc1
InChIInChI=1S/C20H18BrN.ClH/c21-18-9-7-16(8-10-18)19-13-20(19,22)12-14-5-6-15-3-1-2-4-17(15)11-14;/h1-11,19H,12-13,22H2;1H
InChIKeyYKTJGJGZEMBWFF-UHFFFAOYSA-N
XLogP5.45
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.74
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-(naphthalen-2-ylmethyl)cyclopropan-1-amine;hydrochloride?
The IUPAC name of 2-(4-bromophenyl)-1-(naphthalen-2-ylmethyl)cyclopropan-1-amine;hydrochloride (CID 90198033) is 2-(4-bromophenyl)-1-(naphthalen-2-ylmethyl)cyclopropan-1-amine;hydrochloride.
What is the SMILES notation for 2-(4-bromophenyl)-1-(naphthalen-2-ylmethyl)cyclopropan-1-amine;hydrochloride?
The canonical SMILES for 2-(4-bromophenyl)-1-(naphthalen-2-ylmethyl)cyclopropan-1-amine;hydrochloride is Cl.NC1(Cc2ccc3ccccc3c2)CC1c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-1-(naphthalen-2-ylmethyl)cyclopropan-1-amine;hydrochloride?
The InChIKey is YKTJGJGZEMBWFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrN.ClH/c21-18-9-7-16(8-10-18)19-13-20(19,22)12-14-5-6-15-3-1-2-4-17(15)11-14;/h1-11,19H,12-13,22H2;1H.
What are the key properties of 2-(4-bromophenyl)-1-(naphthalen-2-ylmethyl)cyclopropan-1-amine;hydrochloride?
2-(4-bromophenyl)-1-(naphthalen-2-ylmethyl)cyclopropan-1-amine;hydrochloride has a molecular weight of 388.74 g/mol, XLogP of 5.45, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1-(naphthalen-2-ylmethyl)cyclopropan-1-amine;hydrochloride is sourced from PubChem (CID 90198033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).