(1S)-1-[4-[(1S)-1-aminoethyl]phenyl]-2-(tert-butylamino)ethanol

C14H24N2O — CID 67313626

IUPAC(1S)-1-[4-[(1S)-1-aminoethyl]phenyl]-2-(tert-butylamino)ethanol
SMILESC[C@H](N)c1ccc([C@H](O)CNC(C)(C)C)cc1
InChIInChI=1S/C14H24N2O/c1-10(15)11-5-7-12(8-6-11)13(17)9-16-14(2,3)4/h5-8,10,13,16-17H,9,15H2,1-4H3/t10-,13+/m0/s1
InChIKeyKUHBBYPXWKYKKR-GXFFZTMASA-N
MW236.36 g/mol
LogP2.13
Rot. Bonds4

About (1S)-1-[4-[(1S)-1-aminoethyl]phenyl]-2-(tert-butylamino)ethanol

(1S)-1-[4-[(1S)-1-aminoethyl]phenyl]-2-(tert-butylamino)ethanol (PubChem CID 67313626) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is (1S)-1-[4-[(1S)-1-aminoethyl]phenyl]-2-(tert-butylamino)ethanol.

Molecular Properties

Compound Name(1S)-1-[4-[(1S)-1-aminoethyl]phenyl]-2-(tert-butylamino)ethanol
PubChem CID67313626
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name(1S)-1-[4-[(1S)-1-aminoethyl]phenyl]-2-(tert-butylamino)ethanol
SMILESC[C@H](N)c1ccc([C@H](O)CNC(C)(C)C)cc1
InChIInChI=1S/C14H24N2O/c1-10(15)11-5-7-12(8-6-11)13(17)9-16-14(2,3)4/h5-8,10,13,16-17H,9,15H2,1-4H3/t10-,13+/m0/s1
InChIKeyKUHBBYPXWKYKKR-GXFFZTMASA-N
XLogP2.13
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-[(1S)-1-aminoethyl]phenyl]-2-(tert-butylamino)ethanol?
The IUPAC name of (1S)-1-[4-[(1S)-1-aminoethyl]phenyl]-2-(tert-butylamino)ethanol (CID 67313626) is (1S)-1-[4-[(1S)-1-aminoethyl]phenyl]-2-(tert-butylamino)ethanol.
What is the SMILES notation for (1S)-1-[4-[(1S)-1-aminoethyl]phenyl]-2-(tert-butylamino)ethanol?
The canonical SMILES for (1S)-1-[4-[(1S)-1-aminoethyl]phenyl]-2-(tert-butylamino)ethanol is C[C@H](N)c1ccc([C@H](O)CNC(C)(C)C)cc1.
What is the InChIKey of (1S)-1-[4-[(1S)-1-aminoethyl]phenyl]-2-(tert-butylamino)ethanol?
The InChIKey is KUHBBYPXWKYKKR-GXFFZTMASA-N. The full InChI is InChI=1S/C14H24N2O/c1-10(15)11-5-7-12(8-6-11)13(17)9-16-14(2,3)4/h5-8,10,13,16-17H,9,15H2,1-4H3/t10-,13+/m0/s1.
What are the key properties of (1S)-1-[4-[(1S)-1-aminoethyl]phenyl]-2-(tert-butylamino)ethanol?
(1S)-1-[4-[(1S)-1-aminoethyl]phenyl]-2-(tert-butylamino)ethanol has a molecular weight of 236.36 g/mol, XLogP of 2.13, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-[(1S)-1-aminoethyl]phenyl]-2-(tert-butylamino)ethanol is sourced from PubChem (CID 67313626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).