1-[2-[(1R)-1-aminoethyl]-N-methylanilino]propan-2-ol

C12H20N2O — CID 78935252

IUPAC1-[2-[(1R)-1-aminoethyl]-N-methylanilino]propan-2-ol
SMILESCC(O)CN(C)c1ccccc1[C@@H](C)N
InChIInChI=1S/C12H20N2O/c1-9(15)8-14(3)12-7-5-4-6-11(12)10(2)13/h4-7,9-10,15H,8,13H2,1-3H3/t9?,10-/m1/s1
InChIKeyAPFWXDBJIFCMAI-QVDQXJPCSA-N
MW208.30 g/mol
LogP1.52
Rot. Bonds4

About 1-[2-[(1R)-1-aminoethyl]-N-methylanilino]propan-2-ol

1-[2-[(1R)-1-aminoethyl]-N-methylanilino]propan-2-ol (PubChem CID 78935252) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-[2-[(1R)-1-aminoethyl]-N-methylanilino]propan-2-ol.

Molecular Properties

Compound Name1-[2-[(1R)-1-aminoethyl]-N-methylanilino]propan-2-ol
PubChem CID78935252
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name1-[2-[(1R)-1-aminoethyl]-N-methylanilino]propan-2-ol
SMILESCC(O)CN(C)c1ccccc1[C@@H](C)N
InChIInChI=1S/C12H20N2O/c1-9(15)8-14(3)12-7-5-4-6-11(12)10(2)13/h4-7,9-10,15H,8,13H2,1-3H3/t9?,10-/m1/s1
InChIKeyAPFWXDBJIFCMAI-QVDQXJPCSA-N
XLogP1.52
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(1S)-1-aminoethyl]-N-methylanilino]propan-2-ol
CID 63368989
2-(1-aminoethyl)-N-methyl-N-(2-methylbutyl)aniline
CID 43295960
2-[(1R)-1-aminoethyl]-N-methyl-N-propylaniline
CID 78936089
2-[(1R)-1-aminoethyl]-N-methyl-N-(2-phenylethyl)aniline
CID 79009081
N'-[2-(1-aminoethyl)phenyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63694909
1-(2-bromo-N-methylanilino)propan-2-ol
CID 82117993
2-(1-aminoethyl)-N-methyl-N-(2-propan-2-yloxyethyl)aniline
CID 81055890
3-[2-(1-aminoethyl)-N-methylanilino]propanenitrile
CID 43188866
2-[(1S)-1-aminoethyl]-N-methyl-N-(2-thiophen-2-ylethyl)aniline
CID 79476383
2-(1-aminoethyl)-N-methyl-N-(2-pyridin-2-ylethyl)aniline
CID 43188910
2-[(1S)-1-aminoethyl]-N-[(2-bromophenyl)methyl]-N-methylaniline
CID 63369359
2-[(1R)-1-aminoethyl]-N-(3-methoxypropyl)-N-methylaniline
CID 78935486

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1R)-1-aminoethyl]-N-methylanilino]propan-2-ol?
The IUPAC name of 1-[2-[(1R)-1-aminoethyl]-N-methylanilino]propan-2-ol (CID 78935252) is 1-[2-[(1R)-1-aminoethyl]-N-methylanilino]propan-2-ol.
What is the SMILES notation for 1-[2-[(1R)-1-aminoethyl]-N-methylanilino]propan-2-ol?
The canonical SMILES for 1-[2-[(1R)-1-aminoethyl]-N-methylanilino]propan-2-ol is CC(O)CN(C)c1ccccc1[C@@H](C)N.
What is the InChIKey of 1-[2-[(1R)-1-aminoethyl]-N-methylanilino]propan-2-ol?
The InChIKey is APFWXDBJIFCMAI-QVDQXJPCSA-N. The full InChI is InChI=1S/C12H20N2O/c1-9(15)8-14(3)12-7-5-4-6-11(12)10(2)13/h4-7,9-10,15H,8,13H2,1-3H3/t9?,10-/m1/s1.
What are the key properties of 1-[2-[(1R)-1-aminoethyl]-N-methylanilino]propan-2-ol?
1-[2-[(1R)-1-aminoethyl]-N-methylanilino]propan-2-ol has a molecular weight of 208.30 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1R)-1-aminoethyl]-N-methylanilino]propan-2-ol is sourced from PubChem (CID 78935252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).