2-[4-(2-aminoethyl)phenyl]ethyl-tert-butylcarbamic acid

C15H24N2O2 — CID 146598746

IUPAC2-[4-(2-aminoethyl)phenyl]ethyl-tert-butylcarbamic acid
SMILESCC(C)(C)N(CCc1ccc(CCN)cc1)C(=O)O
InChIInChI=1S/C15H24N2O2/c1-15(2,3)17(14(18)19)11-9-13-6-4-12(5-7-13)8-10-16/h4-7H,8-11,16H2,1-3H3,(H,18,19)
InChIKeyMYYNMXJCSPXHEW-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.51
Rot. Bonds5

About 2-[4-(2-aminoethyl)phenyl]ethyl-tert-butylcarbamic acid

2-[4-(2-aminoethyl)phenyl]ethyl-tert-butylcarbamic acid (PubChem CID 146598746) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-[4-(2-aminoethyl)phenyl]ethyl-tert-butylcarbamic acid.

Molecular Properties

Compound Name2-[4-(2-aminoethyl)phenyl]ethyl-tert-butylcarbamic acid
PubChem CID146598746
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-[4-(2-aminoethyl)phenyl]ethyl-tert-butylcarbamic acid
SMILESCC(C)(C)N(CCc1ccc(CCN)cc1)C(=O)O
InChIInChI=1S/C15H24N2O2/c1-15(2,3)17(14(18)19)11-9-13-6-4-12(5-7-13)8-10-16/h4-7H,8-11,16H2,1-3H3,(H,18,19)
InChIKeyMYYNMXJCSPXHEW-UHFFFAOYSA-N
XLogP2.51
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(2-amino-1,3-thiazol-4-yl)phenyl]ethyl-tert-butylcarbamic acid
CID 86620276
2-(4-amino-3-nitrophenyl)ethyl-tert-butylcarbamic acid
CID 162367907
4-(2-Aminoethyl)-benzoic acid sodium
CID 70590830
2-(2-fluoroethoxy)ethyl N-tert-butyl-N-(2-phenylethyl)carbamate
CID 175013794
4-(2-aminoethyl)benzoic acid;hydron;chloride
CID 56844303
2,2,2-trifluoroethyl N-tert-butyl-N-(2-phenylethyl)carbamate
CID 175012156
2-[3-(6-amino-2-pyridinyl)phenyl]ethyl-tert-butylcarbamic acid
CID 66836780
N-[4-(2-aminoethyl)phenyl]-N,2,2-trimethylpropanamide
CID 28755472
2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl-tert-butylcarbamic acid
CID 98007656
[4-(2-aminoethyl)-2-pyridinyl]-tert-butylcarbamic acid
CID 67242359
2-[4-(2-aminoethyl)phenyl]ethanamine;hydroiodide
CID 175484243
2-[4-(2-aminoethyl)phenyl]ethanamine;hydrochloride
CID 68536204

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminoethyl)phenyl]ethyl-tert-butylcarbamic acid?
The IUPAC name of 2-[4-(2-aminoethyl)phenyl]ethyl-tert-butylcarbamic acid (CID 146598746) is 2-[4-(2-aminoethyl)phenyl]ethyl-tert-butylcarbamic acid.
What is the SMILES notation for 2-[4-(2-aminoethyl)phenyl]ethyl-tert-butylcarbamic acid?
The canonical SMILES for 2-[4-(2-aminoethyl)phenyl]ethyl-tert-butylcarbamic acid is CC(C)(C)N(CCc1ccc(CCN)cc1)C(=O)O.
What is the InChIKey of 2-[4-(2-aminoethyl)phenyl]ethyl-tert-butylcarbamic acid?
The InChIKey is MYYNMXJCSPXHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-15(2,3)17(14(18)19)11-9-13-6-4-12(5-7-13)8-10-16/h4-7H,8-11,16H2,1-3H3,(H,18,19).
What are the key properties of 2-[4-(2-aminoethyl)phenyl]ethyl-tert-butylcarbamic acid?
2-[4-(2-aminoethyl)phenyl]ethyl-tert-butylcarbamic acid has a molecular weight of 264.37 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminoethyl)phenyl]ethyl-tert-butylcarbamic acid is sourced from PubChem (CID 146598746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).