[4-[2-(3-cyclopropylphenyl)cyclopropyl]phenyl]methanamine

C19H21N — CID 70968876

IUPAC[4-[2-(3-cyclopropylphenyl)cyclopropyl]phenyl]methanamine
SMILESNCc1ccc(C2CC2c2cccc(C3CC3)c2)cc1
InChIInChI=1S/C19H21N/c20-12-13-4-6-15(7-5-13)18-11-19(18)17-3-1-2-16(10-17)14-8-9-14/h1-7,10,14,18-19H,8-9,11-12,20H2
InChIKeyPZIHVWCIVYBQJQ-UHFFFAOYSA-N
MW263.38 g/mol
LogP4.29
Rot. Bonds4

About [4-[2-(3-cyclopropylphenyl)cyclopropyl]phenyl]methanamine

[4-[2-(3-cyclopropylphenyl)cyclopropyl]phenyl]methanamine (PubChem CID 70968876) has the molecular formula C19H21N and a molecular weight of 263.38 g/mol. Its IUPAC name is [4-[2-(3-cyclopropylphenyl)cyclopropyl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[2-(3-cyclopropylphenyl)cyclopropyl]phenyl]methanamine
PubChem CID70968876
Molecular FormulaC19H21N
Molecular Weight263.38 g/mol
Exact Mass263.17
IUPAC Name[4-[2-(3-cyclopropylphenyl)cyclopropyl]phenyl]methanamine
SMILESNCc1ccc(C2CC2c2cccc(C3CC3)c2)cc1
InChIInChI=1S/C19H21N/c20-12-13-4-6-15(7-5-13)18-11-19(18)17-3-1-2-16(10-17)14-8-9-14/h1-7,10,14,18-19H,8-9,11-12,20H2
InChIKeyPZIHVWCIVYBQJQ-UHFFFAOYSA-N
XLogP4.29
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [4-[2-(3-cyclopropylphenyl)cyclopropyl]phenyl]methanamine?
The IUPAC name of [4-[2-(3-cyclopropylphenyl)cyclopropyl]phenyl]methanamine (CID 70968876) is [4-[2-(3-cyclopropylphenyl)cyclopropyl]phenyl]methanamine.
What is the SMILES notation for [4-[2-(3-cyclopropylphenyl)cyclopropyl]phenyl]methanamine?
The canonical SMILES for [4-[2-(3-cyclopropylphenyl)cyclopropyl]phenyl]methanamine is NCc1ccc(C2CC2c2cccc(C3CC3)c2)cc1.
What is the InChIKey of [4-[2-(3-cyclopropylphenyl)cyclopropyl]phenyl]methanamine?
The InChIKey is PZIHVWCIVYBQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N/c20-12-13-4-6-15(7-5-13)18-11-19(18)17-3-1-2-16(10-17)14-8-9-14/h1-7,10,14,18-19H,8-9,11-12,20H2.
What are the key properties of [4-[2-(3-cyclopropylphenyl)cyclopropyl]phenyl]methanamine?
[4-[2-(3-cyclopropylphenyl)cyclopropyl]phenyl]methanamine has a molecular weight of 263.38 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(3-cyclopropylphenyl)cyclopropyl]phenyl]methanamine is sourced from PubChem (CID 70968876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).