4-[[cyclopropyl-[2-(3-methoxypropoxy)ethyl]amino]methyl]aniline

C16H26N2O2 — CID 103180368

IUPAC4-[[cyclopropyl-[2-(3-methoxypropoxy)ethyl]amino]methyl]aniline
SMILESCOCCCOCCN(Cc1ccc(N)cc1)C1CC1
InChIInChI=1S/C16H26N2O2/c1-19-10-2-11-20-12-9-18(16-7-8-16)13-14-3-5-15(17)6-4-14/h3-6,16H,2,7-13,17H2,1H3
InChIKeyWFCZMUFOLXVXBC-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.29
Rot. Bonds10

About 4-[[cyclopropyl-[2-(3-methoxypropoxy)ethyl]amino]methyl]aniline

4-[[cyclopropyl-[2-(3-methoxypropoxy)ethyl]amino]methyl]aniline (PubChem CID 103180368) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 4-[[cyclopropyl-[2-(3-methoxypropoxy)ethyl]amino]methyl]aniline.

Molecular Properties

Compound Name4-[[cyclopropyl-[2-(3-methoxypropoxy)ethyl]amino]methyl]aniline
PubChem CID103180368
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name4-[[cyclopropyl-[2-(3-methoxypropoxy)ethyl]amino]methyl]aniline
SMILESCOCCCOCCN(Cc1ccc(N)cc1)C1CC1
InChIInChI=1S/C16H26N2O2/c1-19-10-2-11-20-12-9-18(16-7-8-16)13-14-3-5-15(17)6-4-14/h3-6,16H,2,7-13,17H2,1H3
InChIKeyWFCZMUFOLXVXBC-UHFFFAOYSA-N
XLogP2.29
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(4-iodophenyl)methyl]-N-(2-methoxyethyl)cyclopropanamine
CID 65478571
N-(2-methoxyethyl)-N-[[4-(methylaminomethyl)phenyl]methyl]cyclopropanamine
CID 62435763
4-[[cyclopropyl(3-ethylsulfonylpropyl)amino]methyl]aniline
CID 65093300
4-[(4-aminophenyl)methyl-cyclopropylamino]-2-methylbutan-2-ol
CID 79356213
4-[2-[benzyl(cyclopropyl)amino]ethyl]aniline
CID 43575140
N'-cyclobutyl-N'-[2-(3-methoxypropoxy)ethyl]ethane-1,2-diamine
CID 103184116
3-[(4-aminophenyl)methyl-cyclopropylamino]propanamide
CID 43460663
4-[[cyclopropyl(2-phenylsulfanylethyl)amino]methyl]aniline
CID 79227847
4-[[(4-bromophenyl)methyl-cyclopropylamino]methyl]aniline
CID 43460624
4-N-[2-(3-methoxypropoxy)ethyl]-4-N-propylbenzene-1,4-diamine
CID 103180403
N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-N-(2-methoxyethyl)cyclopropanamine
CID 106785333
N-(2,3-dihydro-1H-indol-5-ylmethyl)-N-(2-methoxyethyl)cyclopropanamine
CID 54946789

Frequently Asked Questions

What is the IUPAC name of 4-[[cyclopropyl-[2-(3-methoxypropoxy)ethyl]amino]methyl]aniline?
The IUPAC name of 4-[[cyclopropyl-[2-(3-methoxypropoxy)ethyl]amino]methyl]aniline (CID 103180368) is 4-[[cyclopropyl-[2-(3-methoxypropoxy)ethyl]amino]methyl]aniline.
What is the SMILES notation for 4-[[cyclopropyl-[2-(3-methoxypropoxy)ethyl]amino]methyl]aniline?
The canonical SMILES for 4-[[cyclopropyl-[2-(3-methoxypropoxy)ethyl]amino]methyl]aniline is COCCCOCCN(Cc1ccc(N)cc1)C1CC1.
What is the InChIKey of 4-[[cyclopropyl-[2-(3-methoxypropoxy)ethyl]amino]methyl]aniline?
The InChIKey is WFCZMUFOLXVXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-19-10-2-11-20-12-9-18(16-7-8-16)13-14-3-5-15(17)6-4-14/h3-6,16H,2,7-13,17H2,1H3.
What are the key properties of 4-[[cyclopropyl-[2-(3-methoxypropoxy)ethyl]amino]methyl]aniline?
4-[[cyclopropyl-[2-(3-methoxypropoxy)ethyl]amino]methyl]aniline has a molecular weight of 278.40 g/mol, XLogP of 2.29, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclopropyl-[2-(3-methoxypropoxy)ethyl]amino]methyl]aniline is sourced from PubChem (CID 103180368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).