(4-cyclopropyl-3-methylphenyl)methanamine

C11H15N — CID 66479429

IUPAC(4-cyclopropyl-3-methylphenyl)methanamine
SMILESCc1cc(CN)ccc1C1CC1
InChIInChI=1S/C11H15N/c1-8-6-9(7-12)2-5-11(8)10-3-4-10/h2,5-6,10H,3-4,7,12H2,1H3
InChIKeyHORVVSYWWHZVHW-UHFFFAOYSA-N
MW161.25 g/mol
LogP2.33
Rot. Bonds2

About (4-cyclopropyl-3-methylphenyl)methanamine

(4-cyclopropyl-3-methylphenyl)methanamine (PubChem CID 66479429) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is (4-cyclopropyl-3-methylphenyl)methanamine.

Molecular Properties

Compound Name(4-cyclopropyl-3-methylphenyl)methanamine
PubChem CID66479429
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name(4-cyclopropyl-3-methylphenyl)methanamine
SMILESCc1cc(CN)ccc1C1CC1
InChIInChI=1S/C11H15N/c1-8-6-9(7-12)2-5-11(8)10-3-4-10/h2,5-6,10H,3-4,7,12H2,1H3
InChIKeyHORVVSYWWHZVHW-UHFFFAOYSA-N
XLogP2.33
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4-cyclopropyl-3-methylphenyl)methanamine?
The IUPAC name of (4-cyclopropyl-3-methylphenyl)methanamine (CID 66479429) is (4-cyclopropyl-3-methylphenyl)methanamine.
What is the SMILES notation for (4-cyclopropyl-3-methylphenyl)methanamine?
The canonical SMILES for (4-cyclopropyl-3-methylphenyl)methanamine is Cc1cc(CN)ccc1C1CC1.
What is the InChIKey of (4-cyclopropyl-3-methylphenyl)methanamine?
The InChIKey is HORVVSYWWHZVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N/c1-8-6-9(7-12)2-5-11(8)10-3-4-10/h2,5-6,10H,3-4,7,12H2,1H3.
What are the key properties of (4-cyclopropyl-3-methylphenyl)methanamine?
(4-cyclopropyl-3-methylphenyl)methanamine has a molecular weight of 161.25 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopropyl-3-methylphenyl)methanamine is sourced from PubChem (CID 66479429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).