tert-butyl N-[(4-amino-2-chlorophenyl)methyl]-N-cyclopropylcarbamate

C15H21ClN2O2 — CID 69079767

IUPACtert-butyl N-[(4-amino-2-chlorophenyl)methyl]-N-cyclopropylcarbamate
SMILESCC(C)(C)OC(=O)N(Cc1ccc(N)cc1Cl)C1CC1
InChIInChI=1S/C15H21ClN2O2/c1-15(2,3)20-14(19)18(12-6-7-12)9-10-4-5-11(17)8-13(10)16/h4-5,8,12H,6-7,9,17H2,1-3H3
InChIKeyCCDOPXCNXFYVBS-UHFFFAOYSA-N
MW296.80 g/mol
LogP3.82
Rot. Bonds3

About tert-butyl N-[(4-amino-2-chlorophenyl)methyl]-N-cyclopropylcarbamate

tert-butyl N-[(4-amino-2-chlorophenyl)methyl]-N-cyclopropylcarbamate (PubChem CID 69079767) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is tert-butyl N-[(4-amino-2-chlorophenyl)methyl]-N-cyclopropylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[(4-amino-2-chlorophenyl)methyl]-N-cyclopropylcarbamate
PubChem CID69079767
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Nametert-butyl N-[(4-amino-2-chlorophenyl)methyl]-N-cyclopropylcarbamate
SMILESCC(C)(C)OC(=O)N(Cc1ccc(N)cc1Cl)C1CC1
InChIInChI=1S/C15H21ClN2O2/c1-15(2,3)20-14(19)18(12-6-7-12)9-10-4-5-11(17)8-13(10)16/h4-5,8,12H,6-7,9,17H2,1-3H3
InChIKeyCCDOPXCNXFYVBS-UHFFFAOYSA-N
XLogP3.82
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[(2-bromo-3-chlorophenyl)methyl]-N-cyclopropylcarbamate
CID 162786554
tert-butyl N-[[2-chloro-5-[2-(methylcarbamoyloxy)ethyl]phenyl]methyl]-N-cyclopropylcarbamate
CID 67148615
tert-butyl N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]carbamate
CID 63789029
tert-butyl N-[(4-aminophenyl)methyl]-N-cyclohexylcarbamate
CID 23506980
tert-butyl N-[(5-bromo-2-methylphenyl)methyl]-N-cyclopropylcarbamate
CID 138985574
tert-butyl N-[(4-aminophenyl)methyl]-N-piperidin-4-ylcarbamate
CID 175016181
tert-butyl N-cyclopropyl-N-[(2,3-dichloro-5-prop-2-enylphenyl)methyl]carbamate
CID 66761816
tert-butyl N-[[2-bromo-5-(trifluoromethyl)phenyl]methyl]-N-cyclopropylcarbamate
CID 162340809
tert-butyl N-[[3-amino-5-(methoxymethyl)phenyl]methyl]-N-cyclopropylcarbamate
CID 69079007
tert-butyl N-[(3-aminophenyl)methyl]-N-piperidin-4-ylcarbamate
CID 69427895
tert-butyl N-[(4-bromo-3-chloro-2-fluorophenyl)methyl]-N-cyclopentylcarbamate
CID 167530141
N-[(4-amino-2-chlorophenyl)methyl]-N-methoxy-2,2-dimethylpropanamide
CID 134122442

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(4-amino-2-chlorophenyl)methyl]-N-cyclopropylcarbamate?
The IUPAC name of tert-butyl N-[(4-amino-2-chlorophenyl)methyl]-N-cyclopropylcarbamate (CID 69079767) is tert-butyl N-[(4-amino-2-chlorophenyl)methyl]-N-cyclopropylcarbamate.
What is the SMILES notation for tert-butyl N-[(4-amino-2-chlorophenyl)methyl]-N-cyclopropylcarbamate?
The canonical SMILES for tert-butyl N-[(4-amino-2-chlorophenyl)methyl]-N-cyclopropylcarbamate is CC(C)(C)OC(=O)N(Cc1ccc(N)cc1Cl)C1CC1.
What is the InChIKey of tert-butyl N-[(4-amino-2-chlorophenyl)methyl]-N-cyclopropylcarbamate?
The InChIKey is CCDOPXCNXFYVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-15(2,3)20-14(19)18(12-6-7-12)9-10-4-5-11(17)8-13(10)16/h4-5,8,12H,6-7,9,17H2,1-3H3.
What are the key properties of tert-butyl N-[(4-amino-2-chlorophenyl)methyl]-N-cyclopropylcarbamate?
tert-butyl N-[(4-amino-2-chlorophenyl)methyl]-N-cyclopropylcarbamate has a molecular weight of 296.80 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(4-amino-2-chlorophenyl)methyl]-N-cyclopropylcarbamate is sourced from PubChem (CID 69079767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).