[3-[3-(aminomethyl)phenyl]phenyl] N-cyclohexylcarbamate

C20H24N2O2 — CID 11404564

IUPAC[3-[3-(aminomethyl)phenyl]phenyl] N-cyclohexylcarbamate
SMILESNCc1cccc(-c2cccc(OC(=O)NC3CCCCC3)c2)c1
InChIInChI=1S/C20H24N2O2/c21-14-15-6-4-7-16(12-15)17-8-5-11-19(13-17)24-20(23)22-18-9-2-1-3-10-18/h4-8,11-13,18H,1-3,9-10,14,21H2,(H,22,23)
InChIKeyPBEUCXAIMMSKIW-UHFFFAOYSA-N
MW324.42 g/mol
LogP4.23
Rot. Bonds4

About [3-[3-(aminomethyl)phenyl]phenyl] N-cyclohexylcarbamate

[3-[3-(aminomethyl)phenyl]phenyl] N-cyclohexylcarbamate (PubChem CID 11404564) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is [3-[3-(aminomethyl)phenyl]phenyl] N-cyclohexylcarbamate.

Molecular Properties

Compound Name[3-[3-(aminomethyl)phenyl]phenyl] N-cyclohexylcarbamate
PubChem CID11404564
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name[3-[3-(aminomethyl)phenyl]phenyl] N-cyclohexylcarbamate
SMILESNCc1cccc(-c2cccc(OC(=O)NC3CCCCC3)c2)c1
InChIInChI=1S/C20H24N2O2/c21-14-15-6-4-7-16(12-15)17-8-5-11-19(13-17)24-20(23)22-18-9-2-1-3-10-18/h4-8,11-13,18H,1-3,9-10,14,21H2,(H,22,23)
InChIKeyPBEUCXAIMMSKIW-UHFFFAOYSA-N
XLogP4.23
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-[3-(aminomethyl)phenyl]phenyl] N-cyclohexylcarbamate?
The IUPAC name of [3-[3-(aminomethyl)phenyl]phenyl] N-cyclohexylcarbamate (CID 11404564) is [3-[3-(aminomethyl)phenyl]phenyl] N-cyclohexylcarbamate.
What is the SMILES notation for [3-[3-(aminomethyl)phenyl]phenyl] N-cyclohexylcarbamate?
The canonical SMILES for [3-[3-(aminomethyl)phenyl]phenyl] N-cyclohexylcarbamate is NCc1cccc(-c2cccc(OC(=O)NC3CCCCC3)c2)c1.
What is the InChIKey of [3-[3-(aminomethyl)phenyl]phenyl] N-cyclohexylcarbamate?
The InChIKey is PBEUCXAIMMSKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c21-14-15-6-4-7-16(12-15)17-8-5-11-19(13-17)24-20(23)22-18-9-2-1-3-10-18/h4-8,11-13,18H,1-3,9-10,14,21H2,(H,22,23).
What are the key properties of [3-[3-(aminomethyl)phenyl]phenyl] N-cyclohexylcarbamate?
[3-[3-(aminomethyl)phenyl]phenyl] N-cyclohexylcarbamate has a molecular weight of 324.42 g/mol, XLogP of 4.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(aminomethyl)phenyl]phenyl] N-cyclohexylcarbamate is sourced from PubChem (CID 11404564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).