N-(cyclopropylmethyl)-3-(2-methoxyethoxy)aniline

C13H19NO2 — CID 54803051

IUPACN-(cyclopropylmethyl)-3-(2-methoxyethoxy)aniline
SMILESCOCCOc1cccc(NCC2CC2)c1
InChIInChI=1S/C13H19NO2/c1-15-7-8-16-13-4-2-3-12(9-13)14-10-11-5-6-11/h2-4,9,11,14H,5-8,10H2,1H3
InChIKeyKANMVTBBDCCFJR-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.53
Rot. Bonds7

About N-(cyclopropylmethyl)-3-(2-methoxyethoxy)aniline

N-(cyclopropylmethyl)-3-(2-methoxyethoxy)aniline (PubChem CID 54803051) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-3-(2-methoxyethoxy)aniline.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-3-(2-methoxyethoxy)aniline
PubChem CID54803051
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC NameN-(cyclopropylmethyl)-3-(2-methoxyethoxy)aniline
SMILESCOCCOc1cccc(NCC2CC2)c1
InChIInChI=1S/C13H19NO2/c1-15-7-8-16-13-4-2-3-12(9-13)14-10-11-5-6-11/h2-4,9,11,14H,5-8,10H2,1H3
InChIKeyKANMVTBBDCCFJR-UHFFFAOYSA-N
XLogP2.53
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(cyclopropylmethyl)-3-(2-methoxyethoxy)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-methoxyethoxy)-N-(thiolan-3-ylmethyl)aniline
CID 107131858
3-(2-methoxyethoxy)-N-(pyrrolidin-2-ylmethyl)aniline
CID 106637941
N-cyclopropyl-3-(2-methoxyethoxy)aniline
CID 103439187
N-(1-cyclopropylpropan-2-yl)-3-(2-methoxyethoxy)aniline
CID 113353838
2-(cyclopropylmethylamino)-N-[3-(2-methoxyethoxy)phenyl]acetamide;hydrochloride
CID 119723471
3-butoxy-N-(cyclohexylmethyl)aniline
CID 54800630
N-[3-(2-methoxyethoxy)phenyl]cycloheptanamine
CID 54864785
methyl 2-[3-[(4-aminocyclohexyl)methylamino]phenoxy]acetate
CID 59230168
2-[3-(cyclopropylmethylamino)phenoxy]acetamide
CID 43720269
N-(2,2-dimethoxyethyl)-3-(2-methoxyethoxy)aniline
CID 63698128
N-[3-(2-methoxyethoxy)phenyl]cyclopropanecarboxamide
CID 47231480
3-(2-methoxyethoxy)-N-[2-(4-methoxyphenoxy)ethyl]aniline
CID 54803079

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-3-(2-methoxyethoxy)aniline?
The IUPAC name of N-(cyclopropylmethyl)-3-(2-methoxyethoxy)aniline (CID 54803051) is N-(cyclopropylmethyl)-3-(2-methoxyethoxy)aniline.
What is the SMILES notation for N-(cyclopropylmethyl)-3-(2-methoxyethoxy)aniline?
The canonical SMILES for N-(cyclopropylmethyl)-3-(2-methoxyethoxy)aniline is COCCOc1cccc(NCC2CC2)c1.
What is the InChIKey of N-(cyclopropylmethyl)-3-(2-methoxyethoxy)aniline?
The InChIKey is KANMVTBBDCCFJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-15-7-8-16-13-4-2-3-12(9-13)14-10-11-5-6-11/h2-4,9,11,14H,5-8,10H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-3-(2-methoxyethoxy)aniline?
N-(cyclopropylmethyl)-3-(2-methoxyethoxy)aniline has a molecular weight of 221.30 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-3-(2-methoxyethoxy)aniline is sourced from PubChem (CID 54803051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).