(1-phenylcyclobutyl)-(2-phenylcyclopropyl)methanamine

C20H23N — CID 116517484

IUPAC(1-phenylcyclobutyl)-(2-phenylcyclopropyl)methanamine
SMILESNC(C1CC1c1ccccc1)C1(c2ccccc2)CCC1
InChIInChI=1S/C20H23N/c21-19(18-14-17(18)15-8-3-1-4-9-15)20(12-7-13-20)16-10-5-2-6-11-16/h1-6,8-11,17-19H,7,12-14,21H2
InChIKeyKHPDJJQXMUOJBP-UHFFFAOYSA-N
MW277.41 g/mol
LogP4.24
Rot. Bonds4

About (1-phenylcyclobutyl)-(2-phenylcyclopropyl)methanamine

(1-phenylcyclobutyl)-(2-phenylcyclopropyl)methanamine (PubChem CID 116517484) has the molecular formula C20H23N and a molecular weight of 277.41 g/mol. Its IUPAC name is (1-phenylcyclobutyl)-(2-phenylcyclopropyl)methanamine.

Molecular Properties

Compound Name(1-phenylcyclobutyl)-(2-phenylcyclopropyl)methanamine
PubChem CID116517484
Molecular FormulaC20H23N
Molecular Weight277.41 g/mol
Exact Mass277.18
IUPAC Name(1-phenylcyclobutyl)-(2-phenylcyclopropyl)methanamine
SMILESNC(C1CC1c1ccccc1)C1(c2ccccc2)CCC1
InChIInChI=1S/C20H23N/c21-19(18-14-17(18)15-8-3-1-4-9-15)20(12-7-13-20)16-10-5-2-6-11-16/h1-6,8-11,17-19H,7,12-14,21H2
InChIKeyKHPDJJQXMUOJBP-UHFFFAOYSA-N
XLogP4.24
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1-phenylcyclobutyl)-(2-phenylcyclopropyl)methanamine?
The IUPAC name of (1-phenylcyclobutyl)-(2-phenylcyclopropyl)methanamine (CID 116517484) is (1-phenylcyclobutyl)-(2-phenylcyclopropyl)methanamine.
What is the SMILES notation for (1-phenylcyclobutyl)-(2-phenylcyclopropyl)methanamine?
The canonical SMILES for (1-phenylcyclobutyl)-(2-phenylcyclopropyl)methanamine is NC(C1CC1c1ccccc1)C1(c2ccccc2)CCC1.
What is the InChIKey of (1-phenylcyclobutyl)-(2-phenylcyclopropyl)methanamine?
The InChIKey is KHPDJJQXMUOJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N/c21-19(18-14-17(18)15-8-3-1-4-9-15)20(12-7-13-20)16-10-5-2-6-11-16/h1-6,8-11,17-19H,7,12-14,21H2.
What are the key properties of (1-phenylcyclobutyl)-(2-phenylcyclopropyl)methanamine?
(1-phenylcyclobutyl)-(2-phenylcyclopropyl)methanamine has a molecular weight of 277.41 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-phenylcyclobutyl)-(2-phenylcyclopropyl)methanamine is sourced from PubChem (CID 116517484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).