tert-butyl N-[(1R,2S)-2-amino-1,2-bis(4-chlorophenyl)ethyl]carbamate

C19H22Cl2N2O2 — CID 67125977

IUPACtert-butyl N-[(1R,2S)-2-amino-1,2-bis(4-chlorophenyl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H](N)c1ccc(Cl)cc1
InChIInChI=1S/C19H22Cl2N2O2/c1-19(2,3)25-18(24)23-17(13-6-10-15(21)11-7-13)16(22)12-4-8-14(20)9-5-12/h4-11,16-17H,22H2,1-3H3,(H,23,24)/t16-,17+/m0/s1
InChIKeyWIPFVAZZRHSNTE-DLBZAZTESA-N
MW381.30 g/mol
LogP5.26
Rot. Bonds4

About tert-butyl N-[(1R,2S)-2-amino-1,2-bis(4-chlorophenyl)ethyl]carbamate

tert-butyl N-[(1R,2S)-2-amino-1,2-bis(4-chlorophenyl)ethyl]carbamate (PubChem CID 67125977) has the molecular formula C19H22Cl2N2O2 and a molecular weight of 381.30 g/mol. Its IUPAC name is tert-butyl N-[(1R,2S)-2-amino-1,2-bis(4-chlorophenyl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R,2S)-2-amino-1,2-bis(4-chlorophenyl)ethyl]carbamate
PubChem CID67125977
Molecular FormulaC19H22Cl2N2O2
Molecular Weight381.30 g/mol
Exact Mass380.11
IUPAC Nametert-butyl N-[(1R,2S)-2-amino-1,2-bis(4-chlorophenyl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H](N)c1ccc(Cl)cc1
InChIInChI=1S/C19H22Cl2N2O2/c1-19(2,3)25-18(24)23-17(13-6-10-15(21)11-7-13)16(22)12-4-8-14(20)9-5-12/h4-11,16-17H,22H2,1-3H3,(H,23,24)/t16-,17+/m0/s1
InChIKeyWIPFVAZZRHSNTE-DLBZAZTESA-N
XLogP5.26
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.30
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R,2S)-2-amino-1,2-bis(4-chlorophenyl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[(1R,2S)-2-amino-1,2-bis(4-chlorophenyl)ethyl]carbamate (CID 67125977) is tert-butyl N-[(1R,2S)-2-amino-1,2-bis(4-chlorophenyl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R,2S)-2-amino-1,2-bis(4-chlorophenyl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R,2S)-2-amino-1,2-bis(4-chlorophenyl)ethyl]carbamate is CC(C)(C)OC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H](N)c1ccc(Cl)cc1.
What is the InChIKey of tert-butyl N-[(1R,2S)-2-amino-1,2-bis(4-chlorophenyl)ethyl]carbamate?
The InChIKey is WIPFVAZZRHSNTE-DLBZAZTESA-N. The full InChI is InChI=1S/C19H22Cl2N2O2/c1-19(2,3)25-18(24)23-17(13-6-10-15(21)11-7-13)16(22)12-4-8-14(20)9-5-12/h4-11,16-17H,22H2,1-3H3,(H,23,24)/t16-,17+/m0/s1.
What are the key properties of tert-butyl N-[(1R,2S)-2-amino-1,2-bis(4-chlorophenyl)ethyl]carbamate?
tert-butyl N-[(1R,2S)-2-amino-1,2-bis(4-chlorophenyl)ethyl]carbamate has a molecular weight of 381.30 g/mol, XLogP of 5.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R,2S)-2-amino-1,2-bis(4-chlorophenyl)ethyl]carbamate is sourced from PubChem (CID 67125977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).