N-[[3-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]phenyl]methyl]ethanamine

C18H30N2O — CID 62423065

IUPACN-[[3-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]phenyl]methyl]ethanamine
SMILESCCNCc1cccc(OCCN2CC(C)CC(C)C2)c1
InChIInChI=1S/C18H30N2O/c1-4-19-12-17-6-5-7-18(11-17)21-9-8-20-13-15(2)10-16(3)14-20/h5-7,11,15-16,19H,4,8-10,12-14H2,1-3H3
InChIKeyRQBQAPQJDGGANS-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.15
Rot. Bonds7

About N-[[3-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]phenyl]methyl]ethanamine

N-[[3-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]phenyl]methyl]ethanamine (PubChem CID 62423065) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-[[3-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]phenyl]methyl]ethanamine
PubChem CID62423065
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-[[3-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]phenyl]methyl]ethanamine
SMILESCCNCc1cccc(OCCN2CC(C)CC(C)C2)c1
InChIInChI=1S/C18H30N2O/c1-4-19-12-17-6-5-7-18(11-17)21-9-8-20-13-15(2)10-16(3)14-20/h5-7,11,15-16,19H,4,8-10,12-14H2,1-3H3
InChIKeyRQBQAPQJDGGANS-UHFFFAOYSA-N
XLogP3.15
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethoxy]phenyl]methyl]ethanamine
CID 115562202
N-[[3-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethoxy]phenyl]methyl]ethanamine
CID 66370228
[3-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]phenyl]methanamine
CID 43253572
N-[[3-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethoxy]phenyl]methyl]morpholin-4-amine
CID 95194994
N-[[3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]methyl]propan-1-amine
CID 62439724
N-[[3-[2-(2-ethyl-5-methylpyrrolidin-1-yl)ethoxy]phenyl]methyl]ethanamine
CID 83220271
N-[(3-butoxyphenyl)methyl]ethanamine
CID 43278316
N-[[3-[2-(3,4-dimethylpyrrolidin-1-yl)ethoxy]phenyl]methyl]cyclopropanamine
CID 79178291
N-[[3-(2-pyrazol-1-ylethoxy)phenyl]methyl]ethanamine
CID 54962036
N-[[3-[2-(2-methylmorpholin-4-yl)ethoxy]phenyl]methyl]propan-1-amine
CID 62438935
N-[[3-(2-ethoxyethoxy)phenyl]methyl]ethanamine
CID 43457063
2-(4-methylpiperidin-1-yl)-N-[(3-propoxyphenyl)methyl]ethanamine
CID 60957544

Frequently Asked Questions

What is the IUPAC name of N-[[3-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]phenyl]methyl]ethanamine?
The IUPAC name of N-[[3-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]phenyl]methyl]ethanamine (CID 62423065) is N-[[3-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]phenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]phenyl]methyl]ethanamine is CCNCc1cccc(OCCN2CC(C)CC(C)C2)c1.
What is the InChIKey of N-[[3-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]phenyl]methyl]ethanamine?
The InChIKey is RQBQAPQJDGGANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-4-19-12-17-6-5-7-18(11-17)21-9-8-20-13-15(2)10-16(3)14-20/h5-7,11,15-16,19H,4,8-10,12-14H2,1-3H3.
What are the key properties of N-[[3-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]phenyl]methyl]ethanamine?
N-[[3-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]phenyl]methyl]ethanamine has a molecular weight of 290.45 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]phenyl]methyl]ethanamine is sourced from PubChem (CID 62423065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).