phenyl N-[4-(aminomethyl)phenyl]-N-cyclopropylcarbamate

C17H18N2O2 — CID 43276104

IUPACphenyl N-[4-(aminomethyl)phenyl]-N-cyclopropylcarbamate
SMILESNCc1ccc(N(C(=O)Oc2ccccc2)C2CC2)cc1
InChIInChI=1S/C17H18N2O2/c18-12-13-6-8-14(9-7-13)19(15-10-11-15)17(20)21-16-4-2-1-3-5-16/h1-9,15H,10-12,18H2
InChIKeyXBOSGHZSWLATIZ-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.31
Rot. Bonds4

About phenyl N-[4-(aminomethyl)phenyl]-N-cyclopropylcarbamate

phenyl N-[4-(aminomethyl)phenyl]-N-cyclopropylcarbamate (PubChem CID 43276104) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is phenyl N-[4-(aminomethyl)phenyl]-N-cyclopropylcarbamate.

Molecular Properties

Compound Namephenyl N-[4-(aminomethyl)phenyl]-N-cyclopropylcarbamate
PubChem CID43276104
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Namephenyl N-[4-(aminomethyl)phenyl]-N-cyclopropylcarbamate
SMILESNCc1ccc(N(C(=O)Oc2ccccc2)C2CC2)cc1
InChIInChI=1S/C17H18N2O2/c18-12-13-6-8-14(9-7-13)19(15-10-11-15)17(20)21-16-4-2-1-3-5-16/h1-9,15H,10-12,18H2
InChIKeyXBOSGHZSWLATIZ-UHFFFAOYSA-N
XLogP3.31
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl N-[4-(aminomethyl)phenyl]-N-cyclopropylcarbamate
CID 43276107
N-[4-(aminomethyl)phenyl]-N-cyclopropyl-2-ethoxyacetamide
CID 43276024
N-[4-(aminomethyl)phenyl]-N-cyclopropylpyridine-2-carboxamide
CID 43276062
N-[4-(aminomethyl)phenyl]-N-cyclopropyloxolane-3-carboxamide
CID 61271794
N-[4-(aminomethyl)phenyl]-N-cyclopropyl-2-(2,2,2-trifluoroethoxy)acetamide
CID 103205396
N-[4-(aminomethyl)phenyl]-N-cyclopropyl-6-methylpyridine-2-carboxamide
CID 43276034
chloro N-cyclopropyl-N-phenylcarbamate
CID 174185498
benzyl N-(4-methylcyclohexyl)-N-phenylcarbamate
CID 71093991
N-[4-(aminomethyl)phenyl]-N-cyclopropyl-2-(1-methoxycyclobutyl)acetamide
CID 103555309
cyclopropyl-(4-phenylmethoxyphenyl)carbamic acid
CID 67143911
N-[4-(aminomethyl)phenyl]-N-cyclopropyloxolane-2-carboxamide
CID 43276045
ethyl 2-[cyclopropyl(phenoxycarbonyl)amino]acetate
CID 54979510

Frequently Asked Questions

What is the IUPAC name of phenyl N-[4-(aminomethyl)phenyl]-N-cyclopropylcarbamate?
The IUPAC name of phenyl N-[4-(aminomethyl)phenyl]-N-cyclopropylcarbamate (CID 43276104) is phenyl N-[4-(aminomethyl)phenyl]-N-cyclopropylcarbamate.
What is the SMILES notation for phenyl N-[4-(aminomethyl)phenyl]-N-cyclopropylcarbamate?
The canonical SMILES for phenyl N-[4-(aminomethyl)phenyl]-N-cyclopropylcarbamate is NCc1ccc(N(C(=O)Oc2ccccc2)C2CC2)cc1.
What is the InChIKey of phenyl N-[4-(aminomethyl)phenyl]-N-cyclopropylcarbamate?
The InChIKey is XBOSGHZSWLATIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c18-12-13-6-8-14(9-7-13)19(15-10-11-15)17(20)21-16-4-2-1-3-5-16/h1-9,15H,10-12,18H2.
What are the key properties of phenyl N-[4-(aminomethyl)phenyl]-N-cyclopropylcarbamate?
phenyl N-[4-(aminomethyl)phenyl]-N-cyclopropylcarbamate has a molecular weight of 282.34 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[4-(aminomethyl)phenyl]-N-cyclopropylcarbamate is sourced from PubChem (CID 43276104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).