2-(cyclopropylmethylamino)-2-(2-ethylphenyl)acetonitrile

Name: 2-(cyclopropylmethylamino)-2-(2-ethylphenyl)acetonitrile — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₄H₁₈N₂ — CID 62414881

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC2-(cyclopropylmethylamino)-2-(2-ethylphenyl)acetonitrile

SMILESCCc1ccccc1C(C#N)NCC1CC1

InChIInChI=1S/C14H18N2/c1-2-12-5-3-4-6-13(12)14(9-15)16-10-11-7-8-11/h3-6,11,14,16H,2,7-8,10H2,1H3

InChIKeyXBQOMZYFJOZWAR-UHFFFAOYSA-N

MW214.31 g/mol

LogP2.81

Rot. Bonds5

About 2-(cyclopropylmethylamino)-2-(2-ethylphenyl)acetonitrile

2-(cyclopropylmethylamino)-2-(2-ethylphenyl)acetonitrile (PubChem CID 62414881) has the molecular formula C₁₄H₁₈N₂ and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-2-(2-ethylphenyl)acetonitrile.

Molecular Properties

Compound Name	2-(cyclopropylmethylamino)-2-(2-ethylphenyl)acetonitrile
PubChem CID	62414881
Molecular Formula	C₁₄H₁₈N₂
Molecular Weight	214.31 g/mol
Exact Mass	214.15
IUPAC Name	2-(cyclopropylmethylamino)-2-(2-ethylphenyl)acetonitrile
SMILES	CCc1ccccc1C(C#N)NCC1CC1
InChI	InChI=1S/C14H18N2/c1-2-12-5-3-4-6-13(12)14(9-15)16-10-11-7-8-11/h3-6,11,14,16H,2,7-8,10H2,1H3
InChIKey	XBQOMZYFJOZWAR-UHFFFAOYSA-N
XLogP	2.81
TPSA	35.82 Å²
H-Bond Donors	1
H-Bond Acceptors	2
Rotatable Bonds	5
Heavy Atoms	16
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	214.31
LogP ≤ 5	2.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-2-(2-ethylphenyl)acetonitrile?

The IUPAC name of 2-(cyclopropylmethylamino)-2-(2-ethylphenyl)acetonitrile (CID 62414881) is 2-(cyclopropylmethylamino)-2-(2-ethylphenyl)acetonitrile.

What is the SMILES notation for 2-(cyclopropylmethylamino)-2-(2-ethylphenyl)acetonitrile?

The canonical SMILES for 2-(cyclopropylmethylamino)-2-(2-ethylphenyl)acetonitrile is CCc1ccccc1C(C#N)NCC1CC1.

What is the InChIKey of 2-(cyclopropylmethylamino)-2-(2-ethylphenyl)acetonitrile?

The InChIKey is XBQOMZYFJOZWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-2-12-5-3-4-6-13(12)14(9-15)16-10-11-7-8-11/h3-6,11,14,16H,2,7-8,10H2,1H3.

What are the key properties of 2-(cyclopropylmethylamino)-2-(2-ethylphenyl)acetonitrile?

2-(cyclopropylmethylamino)-2-(2-ethylphenyl)acetonitrile has a molecular weight of 214.31 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(cyclopropylmethylamino)-2-(2-ethylphenyl)acetonitrile is sourced from PubChem (CID 62414881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 62414881 — identifiers, structure, computed properties (public domain)

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