benzyl N-[4-(2-aminocyclopropyl)phenyl]carbamate;hydrochloride

C17H19ClN2O2 — CID 46830230

IUPACbenzyl N-[4-(2-aminocyclopropyl)phenyl]carbamate;hydrochloride
SMILESCl.NC1CC1c1ccc(NC(=O)OCc2ccccc2)cc1
InChIInChI=1S/C17H18N2O2.ClH/c18-16-10-15(16)13-6-8-14(9-7-13)19-17(20)21-11-12-4-2-1-3-5-12;/h1-9,15-16H,10-11,18H2,(H,19,20);1H
InChIKeyNHQAVYFVODYTGV-UHFFFAOYSA-N
MW318.80 g/mol
LogP3.67
Rot. Bonds4

About benzyl N-[4-(2-aminocyclopropyl)phenyl]carbamate;hydrochloride

benzyl N-[4-(2-aminocyclopropyl)phenyl]carbamate;hydrochloride (PubChem CID 46830230) has the molecular formula C17H19ClN2O2 and a molecular weight of 318.80 g/mol. Its IUPAC name is benzyl N-[4-(2-aminocyclopropyl)phenyl]carbamate;hydrochloride.

Molecular Properties

Compound Namebenzyl N-[4-(2-aminocyclopropyl)phenyl]carbamate;hydrochloride
PubChem CID46830230
Molecular FormulaC17H19ClN2O2
Molecular Weight318.80 g/mol
Exact Mass318.11
IUPAC Namebenzyl N-[4-(2-aminocyclopropyl)phenyl]carbamate;hydrochloride
SMILESCl.NC1CC1c1ccc(NC(=O)OCc2ccccc2)cc1
InChIInChI=1S/C17H18N2O2.ClH/c18-16-10-15(16)13-6-8-14(9-7-13)19-17(20)21-11-12-4-2-1-3-5-12;/h1-9,15-16H,10-11,18H2,(H,19,20);1H
InChIKeyNHQAVYFVODYTGV-UHFFFAOYSA-N
XLogP3.67
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[4-(2-aminocyclopropyl)phenyl]carbamate;hydrochloride?
The IUPAC name of benzyl N-[4-(2-aminocyclopropyl)phenyl]carbamate;hydrochloride (CID 46830230) is benzyl N-[4-(2-aminocyclopropyl)phenyl]carbamate;hydrochloride.
What is the SMILES notation for benzyl N-[4-(2-aminocyclopropyl)phenyl]carbamate;hydrochloride?
The canonical SMILES for benzyl N-[4-(2-aminocyclopropyl)phenyl]carbamate;hydrochloride is Cl.NC1CC1c1ccc(NC(=O)OCc2ccccc2)cc1.
What is the InChIKey of benzyl N-[4-(2-aminocyclopropyl)phenyl]carbamate;hydrochloride?
The InChIKey is NHQAVYFVODYTGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2.ClH/c18-16-10-15(16)13-6-8-14(9-7-13)19-17(20)21-11-12-4-2-1-3-5-12;/h1-9,15-16H,10-11,18H2,(H,19,20);1H.
What are the key properties of benzyl N-[4-(2-aminocyclopropyl)phenyl]carbamate;hydrochloride?
benzyl N-[4-(2-aminocyclopropyl)phenyl]carbamate;hydrochloride has a molecular weight of 318.80 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[4-(2-aminocyclopropyl)phenyl]carbamate;hydrochloride is sourced from PubChem (CID 46830230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).