3-[2-[cyclopropylmethyl(ethyl)amino]ethyl]aniline

C14H22N2 — CID 65348006

IUPAC3-[2-[cyclopropylmethyl(ethyl)amino]ethyl]aniline
SMILESCCN(CCc1cccc(N)c1)CC1CC1
InChIInChI=1S/C14H22N2/c1-2-16(11-13-6-7-13)9-8-12-4-3-5-14(15)10-12/h3-5,10,13H,2,6-9,11,15H2,1H3
InChIKeyVIHSCWNRNOZVFN-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.54
Rot. Bonds6

About 3-[2-[cyclopropylmethyl(ethyl)amino]ethyl]aniline

3-[2-[cyclopropylmethyl(ethyl)amino]ethyl]aniline (PubChem CID 65348006) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 3-[2-[cyclopropylmethyl(ethyl)amino]ethyl]aniline.

Molecular Properties

Compound Name3-[2-[cyclopropylmethyl(ethyl)amino]ethyl]aniline
PubChem CID65348006
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name3-[2-[cyclopropylmethyl(ethyl)amino]ethyl]aniline
SMILESCCN(CCc1cccc(N)c1)CC1CC1
InChIInChI=1S/C14H22N2/c1-2-16(11-13-6-7-13)9-8-12-4-3-5-14(15)10-12/h3-5,10,13H,2,6-9,11,15H2,1H3
InChIKeyVIHSCWNRNOZVFN-UHFFFAOYSA-N
XLogP2.54
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]ethyl]aniline
CID 65347613
N-(cyclopropylmethyl)-N-ethyl-3-phenylpropan-1-amine
CID 102476941
3-[2-[ethyl(furan-2-ylmethyl)amino]ethyl]aniline
CID 65350506
3-[2-(dimethylamino)ethyl]aniline
CID 28720801
3-[2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]ethyl]aniline
CID 65347709
3-[3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propyl]aniline
CID 115342113
ethane;3-propylaniline;vanadium
CID 143596420
3-[2-(4-methylcyclohexyl)ethyl]aniline
CID 86029509
3-[3-[ethyl(2-ethylbutyl)amino]propyl]aniline
CID 115341887
3-[2-[methyl-(2-methylcyclohexyl)amino]ethyl]aniline
CID 65347606
N-[2-(3-aminophenyl)ethyl]-N-methylthiolan-3-amine
CID 65350362
3-[2-(N-ethyl-4-methylanilino)ethyl]aniline
CID 65347516

Frequently Asked Questions

What is the IUPAC name of 3-[2-[cyclopropylmethyl(ethyl)amino]ethyl]aniline?
The IUPAC name of 3-[2-[cyclopropylmethyl(ethyl)amino]ethyl]aniline (CID 65348006) is 3-[2-[cyclopropylmethyl(ethyl)amino]ethyl]aniline.
What is the SMILES notation for 3-[2-[cyclopropylmethyl(ethyl)amino]ethyl]aniline?
The canonical SMILES for 3-[2-[cyclopropylmethyl(ethyl)amino]ethyl]aniline is CCN(CCc1cccc(N)c1)CC1CC1.
What is the InChIKey of 3-[2-[cyclopropylmethyl(ethyl)amino]ethyl]aniline?
The InChIKey is VIHSCWNRNOZVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-2-16(11-13-6-7-13)9-8-12-4-3-5-14(15)10-12/h3-5,10,13H,2,6-9,11,15H2,1H3.
What are the key properties of 3-[2-[cyclopropylmethyl(ethyl)amino]ethyl]aniline?
3-[2-[cyclopropylmethyl(ethyl)amino]ethyl]aniline has a molecular weight of 218.34 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[cyclopropylmethyl(ethyl)amino]ethyl]aniline is sourced from PubChem (CID 65348006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).