benzyl carbamate;N-cyclohexyl-N-(cyclopropylmethyl)-4-fluoroaniline

C24H31FN2O2 — CID 164539589

IUPACbenzyl carbamate;N-cyclohexyl-N-(cyclopropylmethyl)-4-fluoroaniline
SMILESFc1ccc(N(CC2CC2)C2CCCCC2)cc1.NC(=O)OCc1ccccc1
InChIInChI=1S/C16H22FN.C8H9NO2/c17-14-8-10-16(11-9-14)18(12-13-6-7-13)15-4-2-1-3-5-15;9-8(10)11-6-7-4-2-1-3-5-7/h8-11,13,15H,1-7,12H2;1-5H,6H2,(H2,9,10)
InChIKeyKOECHBNOIZVEBO-UHFFFAOYSA-N
MW398.52 g/mol
LogP5.66
Rot. Bonds6

About benzyl carbamate;N-cyclohexyl-N-(cyclopropylmethyl)-4-fluoroaniline

benzyl carbamate;N-cyclohexyl-N-(cyclopropylmethyl)-4-fluoroaniline (PubChem CID 164539589) has the molecular formula C24H31FN2O2 and a molecular weight of 398.52 g/mol. Its IUPAC name is benzyl carbamate;N-cyclohexyl-N-(cyclopropylmethyl)-4-fluoroaniline.

Molecular Properties

Compound Namebenzyl carbamate;N-cyclohexyl-N-(cyclopropylmethyl)-4-fluoroaniline
PubChem CID164539589
Molecular FormulaC24H31FN2O2
Molecular Weight398.52 g/mol
Exact Mass398.24
IUPAC Namebenzyl carbamate;N-cyclohexyl-N-(cyclopropylmethyl)-4-fluoroaniline
SMILESFc1ccc(N(CC2CC2)C2CCCCC2)cc1.NC(=O)OCc1ccccc1
InChIInChI=1S/C16H22FN.C8H9NO2/c17-14-8-10-16(11-9-14)18(12-13-6-7-13)15-4-2-1-3-5-15;9-8(10)11-6-7-4-2-1-3-5-7/h8-11,13,15H,1-7,12H2;1-5H,6H2,(H2,9,10)
InChIKeyKOECHBNOIZVEBO-UHFFFAOYSA-N
XLogP5.66
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.52
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-(4-fluorophenyl)cycloheptanamine
CID 67762250
benzyl carbamate;cyclohexanecarbaldehyde
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CID 141351835
1-benzyl-N-(cyclohexylmethyl)-N-(4-phenylmethoxyphenyl)piperidin-4-amine
CID 21191023
N-cyclohexyl-N-ethyl-4-fluoroaniline
CID 57205530
benzyl carbamate;piperidine-2,6-dione
CID 174491425
benzyl N-cyclohexyl-N-(nitromethyl)carbamate
CID 100967512
N-carbamoyl-N-cyclohexyl-2-phenylmethoxybenzamide
CID 174656216
benzyl carbamate;N-prop-2-enylcyclohexanamine
CID 156861851
4-[benzyl(piperidin-4-yl)amino]benzamide
CID 174618733
benzyl bicyclo[3.2.1]octane-8-carboxylate
CID 154453040
cis-(1R,2S)-2-phenylmethoxycarbonylcyclobutane-1-carboxylate
CID 71378393

Frequently Asked Questions

What is the IUPAC name of benzyl carbamate;N-cyclohexyl-N-(cyclopropylmethyl)-4-fluoroaniline?
The IUPAC name of benzyl carbamate;N-cyclohexyl-N-(cyclopropylmethyl)-4-fluoroaniline (CID 164539589) is benzyl carbamate;N-cyclohexyl-N-(cyclopropylmethyl)-4-fluoroaniline.
What is the SMILES notation for benzyl carbamate;N-cyclohexyl-N-(cyclopropylmethyl)-4-fluoroaniline?
The canonical SMILES for benzyl carbamate;N-cyclohexyl-N-(cyclopropylmethyl)-4-fluoroaniline is Fc1ccc(N(CC2CC2)C2CCCCC2)cc1.NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl carbamate;N-cyclohexyl-N-(cyclopropylmethyl)-4-fluoroaniline?
The InChIKey is KOECHBNOIZVEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN.C8H9NO2/c17-14-8-10-16(11-9-14)18(12-13-6-7-13)15-4-2-1-3-5-15;9-8(10)11-6-7-4-2-1-3-5-7/h8-11,13,15H,1-7,12H2;1-5H,6H2,(H2,9,10).
What are the key properties of benzyl carbamate;N-cyclohexyl-N-(cyclopropylmethyl)-4-fluoroaniline?
benzyl carbamate;N-cyclohexyl-N-(cyclopropylmethyl)-4-fluoroaniline has a molecular weight of 398.52 g/mol, XLogP of 5.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl carbamate;N-cyclohexyl-N-(cyclopropylmethyl)-4-fluoroaniline is sourced from PubChem (CID 164539589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).