3-N-[(1S,2R)-2-phenylcyclopropyl]-2,3-dihydro-1H-indene-1,3-diamine

C18H20N2 — CID 90395379

IUPAC3-N-[(1S,2R)-2-phenylcyclopropyl]-2,3-dihydro-1H-indene-1,3-diamine
SMILESNC1CC(N[C@H]2C[C@@H]2c2ccccc2)c2ccccc21
InChIInChI=1S/C18H20N2/c19-16-11-18(14-9-5-4-8-13(14)16)20-17-10-15(17)12-6-2-1-3-7-12/h1-9,15-18,20H,10-11,19H2/t15-,16?,17+,18?/m1/s1
InChIKeyZFWZJXPRYBXQIV-ZLZJIPBDSA-N
MW264.37 g/mol
LogP3.28
Rot. Bonds3

About 3-N-[(1S,2R)-2-phenylcyclopropyl]-2,3-dihydro-1H-indene-1,3-diamine

3-N-[(1S,2R)-2-phenylcyclopropyl]-2,3-dihydro-1H-indene-1,3-diamine (PubChem CID 90395379) has the molecular formula C18H20N2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-N-[(1S,2R)-2-phenylcyclopropyl]-2,3-dihydro-1H-indene-1,3-diamine.

Molecular Properties

Compound Name3-N-[(1S,2R)-2-phenylcyclopropyl]-2,3-dihydro-1H-indene-1,3-diamine
PubChem CID90395379
Molecular FormulaC18H20N2
Molecular Weight264.37 g/mol
Exact Mass264.16
IUPAC Name3-N-[(1S,2R)-2-phenylcyclopropyl]-2,3-dihydro-1H-indene-1,3-diamine
SMILESNC1CC(N[C@H]2C[C@@H]2c2ccccc2)c2ccccc21
InChIInChI=1S/C18H20N2/c19-16-11-18(14-9-5-4-8-13(14)16)20-17-10-15(17)12-6-2-1-3-7-12/h1-9,15-18,20H,10-11,19H2/t15-,16?,17+,18?/m1/s1
InChIKeyZFWZJXPRYBXQIV-ZLZJIPBDSA-N
XLogP3.28
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-N-[(1S,2R)-2-phenylcyclopropyl]-2,3-dihydro-1H-indene-1,3-diamine?
The IUPAC name of 3-N-[(1S,2R)-2-phenylcyclopropyl]-2,3-dihydro-1H-indene-1,3-diamine (CID 90395379) is 3-N-[(1S,2R)-2-phenylcyclopropyl]-2,3-dihydro-1H-indene-1,3-diamine.
What is the SMILES notation for 3-N-[(1S,2R)-2-phenylcyclopropyl]-2,3-dihydro-1H-indene-1,3-diamine?
The canonical SMILES for 3-N-[(1S,2R)-2-phenylcyclopropyl]-2,3-dihydro-1H-indene-1,3-diamine is NC1CC(N[C@H]2C[C@@H]2c2ccccc2)c2ccccc21.
What is the InChIKey of 3-N-[(1S,2R)-2-phenylcyclopropyl]-2,3-dihydro-1H-indene-1,3-diamine?
The InChIKey is ZFWZJXPRYBXQIV-ZLZJIPBDSA-N. The full InChI is InChI=1S/C18H20N2/c19-16-11-18(14-9-5-4-8-13(14)16)20-17-10-15(17)12-6-2-1-3-7-12/h1-9,15-18,20H,10-11,19H2/t15-,16?,17+,18?/m1/s1.
What are the key properties of 3-N-[(1S,2R)-2-phenylcyclopropyl]-2,3-dihydro-1H-indene-1,3-diamine?
3-N-[(1S,2R)-2-phenylcyclopropyl]-2,3-dihydro-1H-indene-1,3-diamine has a molecular weight of 264.37 g/mol, XLogP of 3.28, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(1S,2R)-2-phenylcyclopropyl]-2,3-dihydro-1H-indene-1,3-diamine is sourced from PubChem (CID 90395379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).