2-[1-(cyclopropylmethyl)-3-phenylindol-2-yl]ethanamine

C20H22N2 — CID 70431312

IUPAC2-[1-(cyclopropylmethyl)-3-phenylindol-2-yl]ethanamine
SMILESNCCc1c(-c2ccccc2)c2ccccc2n1CC1CC1
InChIInChI=1S/C20H22N2/c21-13-12-19-20(16-6-2-1-3-7-16)17-8-4-5-9-18(17)22(19)14-15-10-11-15/h1-9,15H,10-14,21H2
InChIKeyNTTYDEBHBGJWDN-UHFFFAOYSA-N
MW290.41 g/mol
LogP4.22
Rot. Bonds5

About 2-[1-(cyclopropylmethyl)-3-phenylindol-2-yl]ethanamine

2-[1-(cyclopropylmethyl)-3-phenylindol-2-yl]ethanamine (PubChem CID 70431312) has the molecular formula C20H22N2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-[1-(cyclopropylmethyl)-3-phenylindol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(cyclopropylmethyl)-3-phenylindol-2-yl]ethanamine
PubChem CID70431312
Molecular FormulaC20H22N2
Molecular Weight290.41 g/mol
Exact Mass290.18
IUPAC Name2-[1-(cyclopropylmethyl)-3-phenylindol-2-yl]ethanamine
SMILESNCCc1c(-c2ccccc2)c2ccccc2n1CC1CC1
InChIInChI=1S/C20H22N2/c21-13-12-19-20(16-6-2-1-3-7-16)17-8-4-5-9-18(17)22(19)14-15-10-11-15/h1-9,15H,10-14,21H2
InChIKeyNTTYDEBHBGJWDN-UHFFFAOYSA-N
XLogP4.22
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclopropylmethyl)-3-phenylindol-2-yl]ethanamine?
The IUPAC name of 2-[1-(cyclopropylmethyl)-3-phenylindol-2-yl]ethanamine (CID 70431312) is 2-[1-(cyclopropylmethyl)-3-phenylindol-2-yl]ethanamine.
What is the SMILES notation for 2-[1-(cyclopropylmethyl)-3-phenylindol-2-yl]ethanamine?
The canonical SMILES for 2-[1-(cyclopropylmethyl)-3-phenylindol-2-yl]ethanamine is NCCc1c(-c2ccccc2)c2ccccc2n1CC1CC1.
What is the InChIKey of 2-[1-(cyclopropylmethyl)-3-phenylindol-2-yl]ethanamine?
The InChIKey is NTTYDEBHBGJWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2/c21-13-12-19-20(16-6-2-1-3-7-16)17-8-4-5-9-18(17)22(19)14-15-10-11-15/h1-9,15H,10-14,21H2.
What are the key properties of 2-[1-(cyclopropylmethyl)-3-phenylindol-2-yl]ethanamine?
2-[1-(cyclopropylmethyl)-3-phenylindol-2-yl]ethanamine has a molecular weight of 290.41 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclopropylmethyl)-3-phenylindol-2-yl]ethanamine is sourced from PubChem (CID 70431312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).