tert-butyl N-[4-(3-bromoanilino)cyclohexyl]carbamate

C17H25BrN2O2 — CID 103715349

IUPACtert-butyl N-[4-(3-bromoanilino)cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(Nc2cccc(Br)c2)CC1
InChIInChI=1S/C17H25BrN2O2/c1-17(2,3)22-16(21)20-14-9-7-13(8-10-14)19-15-6-4-5-12(18)11-15/h4-6,11,13-14,19H,7-10H2,1-3H3,(H,20,21)
InChIKeyFHJJJCKOMGMANN-UHFFFAOYSA-N
MW369.30 g/mol
LogP4.70
Rot. Bonds3

About tert-butyl N-[4-(3-bromoanilino)cyclohexyl]carbamate

tert-butyl N-[4-(3-bromoanilino)cyclohexyl]carbamate (PubChem CID 103715349) has the molecular formula C17H25BrN2O2 and a molecular weight of 369.30 g/mol. Its IUPAC name is tert-butyl N-[4-(3-bromoanilino)cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(3-bromoanilino)cyclohexyl]carbamate
PubChem CID103715349
Molecular FormulaC17H25BrN2O2
Molecular Weight369.30 g/mol
Exact Mass368.11
IUPAC Nametert-butyl N-[4-(3-bromoanilino)cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(Nc2cccc(Br)c2)CC1
InChIInChI=1S/C17H25BrN2O2/c1-17(2,3)22-16(21)20-14-9-7-13(8-10-14)19-15-6-4-5-12(18)11-15/h4-6,11,13-14,19H,7-10H2,1-3H3,(H,20,21)
InChIKeyFHJJJCKOMGMANN-UHFFFAOYSA-N
XLogP4.70
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.30
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[4-(3-methylanilino)cyclohexyl]carbamate
CID 103715317
tert-butyl N-[4-(3-ethylanilino)cyclohexyl]carbamate
CID 103715367
tert-butyl N-[3-(3-methylanilino)cyclopentyl]carbamate
CID 79461940
tert-butyl N-[4-(2,6-dibromoanilino)cyclohexyl]carbamate
CID 107597180
tert-butyl N-[4-(2,5-dibromoanilino)cyclohexyl]carbamate
CID 103715445
tert-butyl N-[4-(4-bromo-2-ethylanilino)cyclohexyl]carbamate
CID 113259602
tert-butyl N-[4-(2-bromo-3-methylanilino)cyclohexyl]carbamate
CID 103821402
tert-butyl N-[4-(3-bromo-2-methylanilino)cyclohexyl]carbamate
CID 107629945
tert-butyl N-[4-[3-[4-(trifluoromethyl)piperidin-1-yl]anilino]cyclohexyl]carbamate
CID 171775749
3-bromo-N-(4-tert-butylcyclohexyl)aniline
CID 28546222
tert-butyl N-[1-(3-bromophenyl)sulfonylpiperidin-4-yl]carbamate
CID 164556892
tert-butyl N-[4-(2-hydroxyanilino)cyclohexyl]carbamate
CID 90064993

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(3-bromoanilino)cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[4-(3-bromoanilino)cyclohexyl]carbamate (CID 103715349) is tert-butyl N-[4-(3-bromoanilino)cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(3-bromoanilino)cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(3-bromoanilino)cyclohexyl]carbamate is CC(C)(C)OC(=O)NC1CCC(Nc2cccc(Br)c2)CC1.
What is the InChIKey of tert-butyl N-[4-(3-bromoanilino)cyclohexyl]carbamate?
The InChIKey is FHJJJCKOMGMANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrN2O2/c1-17(2,3)22-16(21)20-14-9-7-13(8-10-14)19-15-6-4-5-12(18)11-15/h4-6,11,13-14,19H,7-10H2,1-3H3,(H,20,21).
What are the key properties of tert-butyl N-[4-(3-bromoanilino)cyclohexyl]carbamate?
tert-butyl N-[4-(3-bromoanilino)cyclohexyl]carbamate has a molecular weight of 369.30 g/mol, XLogP of 4.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(3-bromoanilino)cyclohexyl]carbamate is sourced from PubChem (CID 103715349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).