benzyl N-[2-(1-aminocyclopropyl)phenyl]carbamate

C17H18N2O2 — CID 141316548

IUPACbenzyl N-[2-(1-aminocyclopropyl)phenyl]carbamate
SMILESNC1(c2ccccc2NC(=O)OCc2ccccc2)CC1
InChIInChI=1S/C17H18N2O2/c18-17(10-11-17)14-8-4-5-9-15(14)19-16(20)21-12-13-6-2-1-3-7-13/h1-9H,10-12,18H2,(H,19,20)
InChIKeyYIROZEZULBAUHU-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.38
Rot. Bonds4

About benzyl N-[2-(1-aminocyclopropyl)phenyl]carbamate

benzyl N-[2-(1-aminocyclopropyl)phenyl]carbamate (PubChem CID 141316548) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is benzyl N-[2-(1-aminocyclopropyl)phenyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-(1-aminocyclopropyl)phenyl]carbamate
PubChem CID141316548
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Namebenzyl N-[2-(1-aminocyclopropyl)phenyl]carbamate
SMILESNC1(c2ccccc2NC(=O)OCc2ccccc2)CC1
InChIInChI=1S/C17H18N2O2/c18-17(10-11-17)14-8-4-5-9-15(14)19-16(20)21-12-13-6-2-1-3-7-13/h1-9H,10-12,18H2,(H,19,20)
InChIKeyYIROZEZULBAUHU-UHFFFAOYSA-N
XLogP3.38
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-(2-bromophenyl)carbamate
CID 4935706
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CID 10959121
benzyl N-[2-(2-aminophenyl)phenyl]carbamate
CID 68787776
benzyl N-(2-fluoro-3-hydroxyphenyl)carbamate
CID 125116618
benzyl N-(5,6,7,8-tetrahydronaphthalen-1-yl)carbamate
CID 91450815
[2-(1-aminocyclohexyl)phenyl]urea
CID 117338838
benzyl N-(2-methyl-3-pyridinyl)carbamate
CID 10514300
3-[2-hydroxy-3-(phenylmethoxycarbonylamino)phenyl]propanoic acid
CID 54120837
benzyl N-[(1-aminocycloheptyl)methyl]carbamate
CID 66523425
benzyl N-(1-oxaspiro[2.5]octan-6-yl)carbamate
CID 15932630
benzyl N-(3-amino-1-bicyclo[1.1.1]pentanyl)carbamate
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benzyl N-[4-(2-aminoethyl)phenyl]carbamate
CID 86810400

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-(1-aminocyclopropyl)phenyl]carbamate?
The IUPAC name of benzyl N-[2-(1-aminocyclopropyl)phenyl]carbamate (CID 141316548) is benzyl N-[2-(1-aminocyclopropyl)phenyl]carbamate.
What is the SMILES notation for benzyl N-[2-(1-aminocyclopropyl)phenyl]carbamate?
The canonical SMILES for benzyl N-[2-(1-aminocyclopropyl)phenyl]carbamate is NC1(c2ccccc2NC(=O)OCc2ccccc2)CC1.
What is the InChIKey of benzyl N-[2-(1-aminocyclopropyl)phenyl]carbamate?
The InChIKey is YIROZEZULBAUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c18-17(10-11-17)14-8-4-5-9-15(14)19-16(20)21-12-13-6-2-1-3-7-13/h1-9H,10-12,18H2,(H,19,20).
What are the key properties of benzyl N-[2-(1-aminocyclopropyl)phenyl]carbamate?
benzyl N-[2-(1-aminocyclopropyl)phenyl]carbamate has a molecular weight of 282.34 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-(1-aminocyclopropyl)phenyl]carbamate is sourced from PubChem (CID 141316548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).