tert-butyl N-[[2-[(3-chlorophenyl)methylamino]cyclohexyl]methyl]carbamate

C19H29ClN2O2 — CID 113242210

IUPACtert-butyl N-[[2-[(3-chlorophenyl)methylamino]cyclohexyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCCCC1NCc1cccc(Cl)c1
InChIInChI=1S/C19H29ClN2O2/c1-19(2,3)24-18(23)22-13-15-8-4-5-10-17(15)21-12-14-7-6-9-16(20)11-14/h6-7,9,11,15,17,21H,4-5,8,10,12-13H2,1-3H3,(H,22,23)
InChIKeyVUIYFIUPAVPIJH-UHFFFAOYSA-N
MW352.91 g/mol
LogP4.51
Rot. Bonds5

About tert-butyl N-[[2-[(3-chlorophenyl)methylamino]cyclohexyl]methyl]carbamate

tert-butyl N-[[2-[(3-chlorophenyl)methylamino]cyclohexyl]methyl]carbamate (PubChem CID 113242210) has the molecular formula C19H29ClN2O2 and a molecular weight of 352.91 g/mol. Its IUPAC name is tert-butyl N-[[2-[(3-chlorophenyl)methylamino]cyclohexyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[2-[(3-chlorophenyl)methylamino]cyclohexyl]methyl]carbamate
PubChem CID113242210
Molecular FormulaC19H29ClN2O2
Molecular Weight352.91 g/mol
Exact Mass352.19
IUPAC Nametert-butyl N-[[2-[(3-chlorophenyl)methylamino]cyclohexyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCCCC1NCc1cccc(Cl)c1
InChIInChI=1S/C19H29ClN2O2/c1-19(2,3)24-18(23)22-13-15-8-4-5-10-17(15)21-12-14-7-6-9-16(20)11-14/h6-7,9,11,15,17,21H,4-5,8,10,12-13H2,1-3H3,(H,22,23)
InChIKeyVUIYFIUPAVPIJH-UHFFFAOYSA-N
XLogP4.51
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.91
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[4-[(3-chlorophenyl)methylamino]cyclohexyl]carbamate
CID 86277390
tert-butyl N-[[2-[(5-chlorothiophen-2-yl)methylamino]cyclohexyl]methyl]carbamate
CID 103695515
tert-butyl N-[[2-(furan-2-ylmethylamino)cyclohexyl]methyl]carbamate
CID 103695350
tert-butyl N-[[(1S,2R)-2-(1H-pyrrol-3-ylmethylamino)cyclopentyl]methyl]carbamate
CID 97048208
tert-butyl N-[[2-[(4-cyanophenyl)methylamino]cyclopentyl]methyl]carbamate
CID 113242252
tert-butyl N-[[2-(1,2-oxazol-5-ylmethylamino)cyclohexyl]methyl]carbamate
CID 104926974
tert-butyl N-[[2-(2-chloroanilino)cyclopentyl]methyl]carbamate
CID 103695578
tert-butyl N-[[2-(1,2-oxazol-3-ylmethylamino)cyclohexyl]methyl]carbamate
CID 103775229
tert-butyl N-[[2-[(4-bromo-5-chlorothiophen-2-yl)methylamino]cyclopentyl]methyl]carbamate
CID 107251464
tert-butyl N-[[2-[(5-methylfuran-2-yl)methylamino]cyclopentyl]methyl]carbamate
CID 103695771
tert-butyl N-[[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]cyclohexyl]methyl]carbamate
CID 103695436
tert-butyl N-[[2-[(2-methylpyrazol-3-yl)methylamino]cyclohexyl]methyl]carbamate
CID 103695501

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[2-[(3-chlorophenyl)methylamino]cyclohexyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[2-[(3-chlorophenyl)methylamino]cyclohexyl]methyl]carbamate (CID 113242210) is tert-butyl N-[[2-[(3-chlorophenyl)methylamino]cyclohexyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[2-[(3-chlorophenyl)methylamino]cyclohexyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[2-[(3-chlorophenyl)methylamino]cyclohexyl]methyl]carbamate is CC(C)(C)OC(=O)NCC1CCCCC1NCc1cccc(Cl)c1.
What is the InChIKey of tert-butyl N-[[2-[(3-chlorophenyl)methylamino]cyclohexyl]methyl]carbamate?
The InChIKey is VUIYFIUPAVPIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29ClN2O2/c1-19(2,3)24-18(23)22-13-15-8-4-5-10-17(15)21-12-14-7-6-9-16(20)11-14/h6-7,9,11,15,17,21H,4-5,8,10,12-13H2,1-3H3,(H,22,23).
What are the key properties of tert-butyl N-[[2-[(3-chlorophenyl)methylamino]cyclohexyl]methyl]carbamate?
tert-butyl N-[[2-[(3-chlorophenyl)methylamino]cyclohexyl]methyl]carbamate has a molecular weight of 352.91 g/mol, XLogP of 4.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[2-[(3-chlorophenyl)methylamino]cyclohexyl]methyl]carbamate is sourced from PubChem (CID 113242210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).