[(1S,2R)-2-amino-1,2-bis(4-chlorophenyl)ethyl]-tert-butylcarbamic acid

C19H22Cl2N2O2 — CID 174173203

IUPAC[(1S,2R)-2-amino-1,2-bis(4-chlorophenyl)ethyl]-tert-butylcarbamic acid
SMILESCC(C)(C)N(C(=O)O)[C@@H](c1ccc(Cl)cc1)[C@H](N)c1ccc(Cl)cc1
InChIInChI=1S/C19H22Cl2N2O2/c1-19(2,3)23(18(24)25)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,24,25)/t16-,17+/m1/s1
InChIKeyRNFCKUQFMKEJFV-SJORKVTESA-N
MW381.30 g/mol
LogP5.51
Rot. Bonds4

About [(1S,2R)-2-amino-1,2-bis(4-chlorophenyl)ethyl]-tert-butylcarbamic acid

[(1S,2R)-2-amino-1,2-bis(4-chlorophenyl)ethyl]-tert-butylcarbamic acid (PubChem CID 174173203) has the molecular formula C19H22Cl2N2O2 and a molecular weight of 381.30 g/mol. Its IUPAC name is [(1S,2R)-2-amino-1,2-bis(4-chlorophenyl)ethyl]-tert-butylcarbamic acid.

Molecular Properties

Compound Name[(1S,2R)-2-amino-1,2-bis(4-chlorophenyl)ethyl]-tert-butylcarbamic acid
PubChem CID174173203
Molecular FormulaC19H22Cl2N2O2
Molecular Weight381.30 g/mol
Exact Mass380.11
IUPAC Name[(1S,2R)-2-amino-1,2-bis(4-chlorophenyl)ethyl]-tert-butylcarbamic acid
SMILESCC(C)(C)N(C(=O)O)[C@@H](c1ccc(Cl)cc1)[C@H](N)c1ccc(Cl)cc1
InChIInChI=1S/C19H22Cl2N2O2/c1-19(2,3)23(18(24)25)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,24,25)/t16-,17+/m1/s1
InChIKeyRNFCKUQFMKEJFV-SJORKVTESA-N
XLogP5.51
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.30
LogP ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-3,3-dimethylbutane-1,2-diamine
CID 69494037
(2S)-3-amino-3-(4-chlorophenyl)-2-methylpropanoic acid
CID 156800867
N',N'-bis(4-chlorophenyl)-1,2-diphenylethane-1,2-diamine
CID 100939865
1-(4-chlorophenyl)-2-methoxy-3,3-dimethylbutan-1-amine
CID 116724174
(1R)-1-amino-1-(4-chlorophenyl)propan-2-ol
CID 130676173
tert-butyl-[(1S,2S)-2-hydroxy-3-methylsulfanyl-1-phenylpropyl]carbamic acid
CID 57363936
tert-butyl-[(1S)-1-(4-hydroxyphenyl)ethyl]carbamic acid
CID 67404412
[(1R)-1-(2-bromo-5-chlorophenyl)ethyl]-tert-butylcarbamic acid
CID 121362468
(1S,2R)-1-amino-1-(4-chlorophenyl)-3-methylbutan-2-ol
CID 131000817
2-amino-3-(4-chlorophenyl)butanoic acid
CID 12743550
N-tert-butyl-4-chlorobenzohydrazide
CID 15617780
2-amino-3-(4-chlorophenyl)-3-fluoropropanoic acid
CID 12799522

Frequently Asked Questions

What is the IUPAC name of [(1S,2R)-2-amino-1,2-bis(4-chlorophenyl)ethyl]-tert-butylcarbamic acid?
The IUPAC name of [(1S,2R)-2-amino-1,2-bis(4-chlorophenyl)ethyl]-tert-butylcarbamic acid (CID 174173203) is [(1S,2R)-2-amino-1,2-bis(4-chlorophenyl)ethyl]-tert-butylcarbamic acid.
What is the SMILES notation for [(1S,2R)-2-amino-1,2-bis(4-chlorophenyl)ethyl]-tert-butylcarbamic acid?
The canonical SMILES for [(1S,2R)-2-amino-1,2-bis(4-chlorophenyl)ethyl]-tert-butylcarbamic acid is CC(C)(C)N(C(=O)O)[C@@H](c1ccc(Cl)cc1)[C@H](N)c1ccc(Cl)cc1.
What is the InChIKey of [(1S,2R)-2-amino-1,2-bis(4-chlorophenyl)ethyl]-tert-butylcarbamic acid?
The InChIKey is RNFCKUQFMKEJFV-SJORKVTESA-N. The full InChI is InChI=1S/C19H22Cl2N2O2/c1-19(2,3)23(18(24)25)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,24,25)/t16-,17+/m1/s1.
What are the key properties of [(1S,2R)-2-amino-1,2-bis(4-chlorophenyl)ethyl]-tert-butylcarbamic acid?
[(1S,2R)-2-amino-1,2-bis(4-chlorophenyl)ethyl]-tert-butylcarbamic acid has a molecular weight of 381.30 g/mol, XLogP of 5.51, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R)-2-amino-1,2-bis(4-chlorophenyl)ethyl]-tert-butylcarbamic acid is sourced from PubChem (CID 174173203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).