4-[(1R)-1-aminoethyl]-3-methylaniline

C9H14N2 — CID 55273899

IUPAC4-[(1R)-1-aminoethyl]-3-methylaniline
SMILESCc1cc(N)ccc1[C@@H](C)N
InChIInChI=1S/C9H14N2/c1-6-5-8(11)3-4-9(6)7(2)10/h3-5,7H,10-11H2,1-2H3/t7-/m1/s1
InChIKeyABMKEHFFQWZQSO-SSDOTTSWSA-N
MW150.22 g/mol
LogP1.60
Rot. Bonds1

About 4-[(1R)-1-aminoethyl]-3-methylaniline

4-[(1R)-1-aminoethyl]-3-methylaniline (PubChem CID 55273899) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 4-[(1R)-1-aminoethyl]-3-methylaniline.

Molecular Properties

Compound Name4-[(1R)-1-aminoethyl]-3-methylaniline
PubChem CID55273899
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name4-[(1R)-1-aminoethyl]-3-methylaniline
SMILESCc1cc(N)ccc1[C@@H](C)N
InChIInChI=1S/C9H14N2/c1-6-5-8(11)3-4-9(6)7(2)10/h3-5,7H,10-11H2,1-2H3/t7-/m1/s1
InChIKeyABMKEHFFQWZQSO-SSDOTTSWSA-N
XLogP1.60
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-aminoethyl]-3-methylaniline?
The IUPAC name of 4-[(1R)-1-aminoethyl]-3-methylaniline (CID 55273899) is 4-[(1R)-1-aminoethyl]-3-methylaniline.
What is the SMILES notation for 4-[(1R)-1-aminoethyl]-3-methylaniline?
The canonical SMILES for 4-[(1R)-1-aminoethyl]-3-methylaniline is Cc1cc(N)ccc1[C@@H](C)N.
What is the InChIKey of 4-[(1R)-1-aminoethyl]-3-methylaniline?
The InChIKey is ABMKEHFFQWZQSO-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H14N2/c1-6-5-8(11)3-4-9(6)7(2)10/h3-5,7H,10-11H2,1-2H3/t7-/m1/s1.
What are the key properties of 4-[(1R)-1-aminoethyl]-3-methylaniline?
4-[(1R)-1-aminoethyl]-3-methylaniline has a molecular weight of 150.22 g/mol, XLogP of 1.60, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-aminoethyl]-3-methylaniline is sourced from PubChem (CID 55273899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).