2-[4-[2-[cyclobutylmethyl(methyl)amino]ethoxy]phenyl]ethanamine

C16H26N2O — CID 62860390

IUPAC2-[4-[2-[cyclobutylmethyl(methyl)amino]ethoxy]phenyl]ethanamine
SMILESCN(CCOc1ccc(CCN)cc1)CC1CCC1
InChIInChI=1S/C16H26N2O/c1-18(13-15-3-2-4-15)11-12-19-16-7-5-14(6-8-16)9-10-17/h5-8,15H,2-4,9-13,17H2,1H3
InChIKeyBZNXMTOURHNUQX-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.30
Rot. Bonds8

About 2-[4-[2-[cyclobutylmethyl(methyl)amino]ethoxy]phenyl]ethanamine

2-[4-[2-[cyclobutylmethyl(methyl)amino]ethoxy]phenyl]ethanamine (PubChem CID 62860390) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-[4-[2-[cyclobutylmethyl(methyl)amino]ethoxy]phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-[2-[cyclobutylmethyl(methyl)amino]ethoxy]phenyl]ethanamine
PubChem CID62860390
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-[4-[2-[cyclobutylmethyl(methyl)amino]ethoxy]phenyl]ethanamine
SMILESCN(CCOc1ccc(CCN)cc1)CC1CCC1
InChIInChI=1S/C16H26N2O/c1-18(13-15-3-2-4-15)11-12-19-16-7-5-14(6-8-16)9-10-17/h5-8,15H,2-4,9-13,17H2,1H3
InChIKeyBZNXMTOURHNUQX-UHFFFAOYSA-N
XLogP2.30
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[4-(2-aminoethyl)phenoxy]ethyl]-N-methylcyclopentanamine
CID 43266888
N-[[4-[2-[cyclobutylmethyl(methyl)amino]ethoxy]phenyl]methyl]propan-1-amine
CID 62856752
N-[2-[4-(2-aminoethyl)phenoxy]ethyl]-N,1-dimethylpiperidin-4-amine
CID 43253521
4-[3-[cyclohexylmethyl(methyl)amino]propoxy]aniline
CID 61444128
2-[3-(aminomethyl)phenoxy]-N-(cyclopentylmethyl)-N-methylethanamine
CID 63631386
4-[2-[cyclopentylmethyl(methyl)amino]ethoxy]benzoic acid
CID 63630897
4-[2-[methyl(oxan-3-ylmethyl)amino]ethoxy]aniline
CID 63726412
2-[4-[2-(diethylamino)ethoxy]phenyl]ethanamine
CID 10752321
2-[3-(aminomethyl)phenoxy]-N-(cyclopropylmethyl)-N-methylethanamine
CID 54898422
N-[2-[4-(aminomethyl)phenoxy]ethyl]-N-methylcyclopentanamine
CID 43266852
4-(2-aminoethyl)-N-(cyclobutylmethyl)-N-methylbenzenesulfonamide
CID 62854746
4-[2-[cyclopropylmethyl(methyl)amino]ethoxy]benzohydrazide
CID 55215002

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[cyclobutylmethyl(methyl)amino]ethoxy]phenyl]ethanamine?
The IUPAC name of 2-[4-[2-[cyclobutylmethyl(methyl)amino]ethoxy]phenyl]ethanamine (CID 62860390) is 2-[4-[2-[cyclobutylmethyl(methyl)amino]ethoxy]phenyl]ethanamine.
What is the SMILES notation for 2-[4-[2-[cyclobutylmethyl(methyl)amino]ethoxy]phenyl]ethanamine?
The canonical SMILES for 2-[4-[2-[cyclobutylmethyl(methyl)amino]ethoxy]phenyl]ethanamine is CN(CCOc1ccc(CCN)cc1)CC1CCC1.
What is the InChIKey of 2-[4-[2-[cyclobutylmethyl(methyl)amino]ethoxy]phenyl]ethanamine?
The InChIKey is BZNXMTOURHNUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-18(13-15-3-2-4-15)11-12-19-16-7-5-14(6-8-16)9-10-17/h5-8,15H,2-4,9-13,17H2,1H3.
What are the key properties of 2-[4-[2-[cyclobutylmethyl(methyl)amino]ethoxy]phenyl]ethanamine?
2-[4-[2-[cyclobutylmethyl(methyl)amino]ethoxy]phenyl]ethanamine has a molecular weight of 262.40 g/mol, XLogP of 2.30, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[cyclobutylmethyl(methyl)amino]ethoxy]phenyl]ethanamine is sourced from PubChem (CID 62860390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).