N-(1-cyclopropylethyl)-2-(methoxymethyl)aniline

C13H19NO — CID 43677996

IUPACN-(1-cyclopropylethyl)-2-(methoxymethyl)aniline
SMILESCOCc1ccccc1NC(C)C1CC1
InChIInChI=1S/C13H19NO/c1-10(11-7-8-11)14-13-6-4-3-5-12(13)9-15-2/h3-6,10-11,14H,7-9H2,1-2H3
InChIKeyBDKUMWYDPZHXSR-UHFFFAOYSA-N
MW205.30 g/mol
LogP3.04
Rot. Bonds5

About N-(1-cyclopropylethyl)-2-(methoxymethyl)aniline

N-(1-cyclopropylethyl)-2-(methoxymethyl)aniline (PubChem CID 43677996) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-2-(methoxymethyl)aniline.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-2-(methoxymethyl)aniline
PubChem CID43677996
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC NameN-(1-cyclopropylethyl)-2-(methoxymethyl)aniline
SMILESCOCc1ccccc1NC(C)C1CC1
InChIInChI=1S/C13H19NO/c1-10(11-7-8-11)14-13-6-4-3-5-12(13)9-15-2/h3-6,10-11,14H,7-9H2,1-2H3
InChIKeyBDKUMWYDPZHXSR-UHFFFAOYSA-N
XLogP3.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(1-cyclopropylethyl)-2-(methoxymethyl)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

2-(methoxymethyl)-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline
CID 43677816
2-(methoxymethyl)-N-(4-propan-2-ylcyclohexyl)aniline
CID 62701624
N-(1-cyclopropylethyl)-2-(methylsulfinylmethyl)aniline
CID 104695196
[2-(1-cyclopentylethylamino)phenyl]methanol
CID 62632467
N-(1-cyclopentylethyl)-2-(diethylaminomethyl)aniline
CID 62633352
(1R)-1-cyclopentyl-N-[[2-(methoxymethyl)phenyl]methyl]ethanamine
CID 81395717
N-(1-cyclopropylethyl)-2-propan-2-ylaniline
CID 43192462
N-(1-cyclopropylethyl)-2-fluoroaniline
CID 43194895
N-[1-(azepan-2-yl)propan-2-yl]-2-(methoxymethyl)aniline
CID 79559708
N-(1-cyclopropylethyl)-2,3-dimethylaniline
CID 43196438
N-[2-(methoxymethyl)phenyl]cyclooctanamine
CID 43677867
N-(1-cyclohexylethyl)-2-(pyrrolidin-1-ylmethyl)aniline
CID 43788848

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-2-(methoxymethyl)aniline?
The IUPAC name of N-(1-cyclopropylethyl)-2-(methoxymethyl)aniline (CID 43677996) is N-(1-cyclopropylethyl)-2-(methoxymethyl)aniline.
What is the SMILES notation for N-(1-cyclopropylethyl)-2-(methoxymethyl)aniline?
The canonical SMILES for N-(1-cyclopropylethyl)-2-(methoxymethyl)aniline is COCc1ccccc1NC(C)C1CC1.
What is the InChIKey of N-(1-cyclopropylethyl)-2-(methoxymethyl)aniline?
The InChIKey is BDKUMWYDPZHXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-10(11-7-8-11)14-13-6-4-3-5-12(13)9-15-2/h3-6,10-11,14H,7-9H2,1-2H3.
What are the key properties of N-(1-cyclopropylethyl)-2-(methoxymethyl)aniline?
N-(1-cyclopropylethyl)-2-(methoxymethyl)aniline has a molecular weight of 205.30 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-2-(methoxymethyl)aniline is sourced from PubChem (CID 43677996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).