4-[(1R)-1-amino-2-methylpropyl]-3-methylaniline

C11H18N2 — CID 55275534

IUPAC4-[(1R)-1-amino-2-methylpropyl]-3-methylaniline
SMILESCc1cc(N)ccc1[C@H](N)C(C)C
InChIInChI=1S/C11H18N2/c1-7(2)11(13)10-5-4-9(12)6-8(10)3/h4-7,11H,12-13H2,1-3H3/t11-/m1/s1
InChIKeyPCPQTFZRKYMBCJ-LLVKDONJSA-N
MW178.28 g/mol
LogP2.23
Rot. Bonds2

About 4-[(1R)-1-amino-2-methylpropyl]-3-methylaniline

4-[(1R)-1-amino-2-methylpropyl]-3-methylaniline (PubChem CID 55275534) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 4-[(1R)-1-amino-2-methylpropyl]-3-methylaniline.

Molecular Properties

Compound Name4-[(1R)-1-amino-2-methylpropyl]-3-methylaniline
PubChem CID55275534
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name4-[(1R)-1-amino-2-methylpropyl]-3-methylaniline
SMILESCc1cc(N)ccc1[C@H](N)C(C)C
InChIInChI=1S/C11H18N2/c1-7(2)11(13)10-5-4-9(12)6-8(10)3/h4-7,11H,12-13H2,1-3H3/t11-/m1/s1
InChIKeyPCPQTFZRKYMBCJ-LLVKDONJSA-N
XLogP2.23
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.23
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-amino-2-methylpropyl]-3-methylaniline?
The IUPAC name of 4-[(1R)-1-amino-2-methylpropyl]-3-methylaniline (CID 55275534) is 4-[(1R)-1-amino-2-methylpropyl]-3-methylaniline.
What is the SMILES notation for 4-[(1R)-1-amino-2-methylpropyl]-3-methylaniline?
The canonical SMILES for 4-[(1R)-1-amino-2-methylpropyl]-3-methylaniline is Cc1cc(N)ccc1[C@H](N)C(C)C.
What is the InChIKey of 4-[(1R)-1-amino-2-methylpropyl]-3-methylaniline?
The InChIKey is PCPQTFZRKYMBCJ-LLVKDONJSA-N. The full InChI is InChI=1S/C11H18N2/c1-7(2)11(13)10-5-4-9(12)6-8(10)3/h4-7,11H,12-13H2,1-3H3/t11-/m1/s1.
What are the key properties of 4-[(1R)-1-amino-2-methylpropyl]-3-methylaniline?
4-[(1R)-1-amino-2-methylpropyl]-3-methylaniline has a molecular weight of 178.28 g/mol, XLogP of 2.23, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-amino-2-methylpropyl]-3-methylaniline is sourced from PubChem (CID 55275534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).