(1S)-N-(3H-indol-3-ylmethyl)-2-phenylcyclopropan-1-amine

C18H18N2 — CID 58035572

IUPAC(1S)-N-(3H-indol-3-ylmethyl)-2-phenylcyclopropan-1-amine
SMILESC1=Nc2ccccc2C1CN[C@H]1CC1c1ccccc1
InChIInChI=1S/C18H18N2/c1-2-6-13(7-3-1)16-10-18(16)20-12-14-11-19-17-9-5-4-8-15(14)17/h1-9,11,14,16,18,20H,10,12H2/t14?,16?,18-/m0/s1
InChIKeyOPYHBYZPIGUUJT-PVARCSIZSA-N
MW262.36 g/mol
LogP3.63
Rot. Bonds4

About (1S)-N-(3H-indol-3-ylmethyl)-2-phenylcyclopropan-1-amine

(1S)-N-(3H-indol-3-ylmethyl)-2-phenylcyclopropan-1-amine (PubChem CID 58035572) has the molecular formula C18H18N2 and a molecular weight of 262.36 g/mol. Its IUPAC name is (1S)-N-(3H-indol-3-ylmethyl)-2-phenylcyclopropan-1-amine.

Molecular Properties

Compound Name(1S)-N-(3H-indol-3-ylmethyl)-2-phenylcyclopropan-1-amine
PubChem CID58035572
Molecular FormulaC18H18N2
Molecular Weight262.36 g/mol
Exact Mass262.15
IUPAC Name(1S)-N-(3H-indol-3-ylmethyl)-2-phenylcyclopropan-1-amine
SMILESC1=Nc2ccccc2C1CN[C@H]1CC1c1ccccc1
InChIInChI=1S/C18H18N2/c1-2-6-13(7-3-1)16-10-18(16)20-12-14-11-19-17-9-5-4-8-15(14)17/h1-9,11,14,16,18,20H,10,12H2/t14?,16?,18-/m0/s1
InChIKeyOPYHBYZPIGUUJT-PVARCSIZSA-N
XLogP3.63
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-N-(3H-indol-3-ylmethyl)-2-phenylcyclopropan-1-amine?
The IUPAC name of (1S)-N-(3H-indol-3-ylmethyl)-2-phenylcyclopropan-1-amine (CID 58035572) is (1S)-N-(3H-indol-3-ylmethyl)-2-phenylcyclopropan-1-amine.
What is the SMILES notation for (1S)-N-(3H-indol-3-ylmethyl)-2-phenylcyclopropan-1-amine?
The canonical SMILES for (1S)-N-(3H-indol-3-ylmethyl)-2-phenylcyclopropan-1-amine is C1=Nc2ccccc2C1CN[C@H]1CC1c1ccccc1.
What is the InChIKey of (1S)-N-(3H-indol-3-ylmethyl)-2-phenylcyclopropan-1-amine?
The InChIKey is OPYHBYZPIGUUJT-PVARCSIZSA-N. The full InChI is InChI=1S/C18H18N2/c1-2-6-13(7-3-1)16-10-18(16)20-12-14-11-19-17-9-5-4-8-15(14)17/h1-9,11,14,16,18,20H,10,12H2/t14?,16?,18-/m0/s1.
What are the key properties of (1S)-N-(3H-indol-3-ylmethyl)-2-phenylcyclopropan-1-amine?
(1S)-N-(3H-indol-3-ylmethyl)-2-phenylcyclopropan-1-amine has a molecular weight of 262.36 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-(3H-indol-3-ylmethyl)-2-phenylcyclopropan-1-amine is sourced from PubChem (CID 58035572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).