[2-(4-tert-butylphenyl)cyclopropyl]methanamine

C14H21N — CID 62708884

IUPAC[2-(4-tert-butylphenyl)cyclopropyl]methanamine
SMILESCC(C)(C)c1ccc(C2CC2CN)cc1
InChIInChI=1S/C14H21N/c1-14(2,3)12-6-4-10(5-7-12)13-8-11(13)9-15/h4-7,11,13H,8-9,15H2,1-3H3
InChIKeyDNUVSOLNSZCSPA-UHFFFAOYSA-N
MW203.33 g/mol
LogP3.05
Rot. Bonds2

About [2-(4-tert-butylphenyl)cyclopropyl]methanamine

[2-(4-tert-butylphenyl)cyclopropyl]methanamine (PubChem CID 62708884) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is [2-(4-tert-butylphenyl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[2-(4-tert-butylphenyl)cyclopropyl]methanamine
PubChem CID62708884
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name[2-(4-tert-butylphenyl)cyclopropyl]methanamine
SMILESCC(C)(C)c1ccc(C2CC2CN)cc1
InChIInChI=1S/C14H21N/c1-14(2,3)12-6-4-10(5-7-12)13-8-11(13)9-15/h4-7,11,13H,8-9,15H2,1-3H3
InChIKeyDNUVSOLNSZCSPA-UHFFFAOYSA-N
XLogP3.05
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [2-(4-tert-butylphenyl)cyclopropyl]methanamine?
The IUPAC name of [2-(4-tert-butylphenyl)cyclopropyl]methanamine (CID 62708884) is [2-(4-tert-butylphenyl)cyclopropyl]methanamine.
What is the SMILES notation for [2-(4-tert-butylphenyl)cyclopropyl]methanamine?
The canonical SMILES for [2-(4-tert-butylphenyl)cyclopropyl]methanamine is CC(C)(C)c1ccc(C2CC2CN)cc1.
What is the InChIKey of [2-(4-tert-butylphenyl)cyclopropyl]methanamine?
The InChIKey is DNUVSOLNSZCSPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-14(2,3)12-6-4-10(5-7-12)13-8-11(13)9-15/h4-7,11,13H,8-9,15H2,1-3H3.
What are the key properties of [2-(4-tert-butylphenyl)cyclopropyl]methanamine?
[2-(4-tert-butylphenyl)cyclopropyl]methanamine has a molecular weight of 203.33 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-tert-butylphenyl)cyclopropyl]methanamine is sourced from PubChem (CID 62708884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).