N,N-diethyl-2-(3-methoxyphenyl)ethanamine

C13H21NO — CID 69380986

IUPACN,N-diethyl-2-(3-methoxyphenyl)ethanamine
SMILESCCN(CC)CCc1cccc(OC)c1
InChIInChI=1S/C13H21NO/c1-4-14(5-2)10-9-12-7-6-8-13(11-12)15-3/h6-8,11H,4-5,9-10H2,1-3H3
InChIKeyWSPVURPVOWOYQC-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.58
Rot. Bonds6

About N,N-diethyl-2-(3-methoxyphenyl)ethanamine

N,N-diethyl-2-(3-methoxyphenyl)ethanamine (PubChem CID 69380986) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is N,N-diethyl-2-(3-methoxyphenyl)ethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-(3-methoxyphenyl)ethanamine
PubChem CID69380986
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC NameN,N-diethyl-2-(3-methoxyphenyl)ethanamine
SMILESCCN(CC)CCc1cccc(OC)c1
InChIInChI=1S/C13H21NO/c1-4-14(5-2)10-9-12-7-6-8-13(11-12)15-3/h6-8,11H,4-5,9-10H2,1-3H3
InChIKeyWSPVURPVOWOYQC-UHFFFAOYSA-N
XLogP2.58
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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3-[[ethyl-[(3-methoxyphenyl)methyl]amino]methyl]aniline
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1-ethyl-3-methoxybenzene;hydrofluoride
CID 174493623
4-[2-[2-(3-methoxyphenyl)ethyl-prop-2-enylamino]ethyl]phenol
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1-hydroxy-1-[2-(3-methoxyphenyl)ethyl]guanidine
CID 125499004
N,N-diethyl-2-(7-methoxynaphthalen-1-yl)ethanamine
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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(3-methoxyphenyl)ethanamine?
The IUPAC name of N,N-diethyl-2-(3-methoxyphenyl)ethanamine (CID 69380986) is N,N-diethyl-2-(3-methoxyphenyl)ethanamine.
What is the SMILES notation for N,N-diethyl-2-(3-methoxyphenyl)ethanamine?
The canonical SMILES for N,N-diethyl-2-(3-methoxyphenyl)ethanamine is CCN(CC)CCc1cccc(OC)c1.
What is the InChIKey of N,N-diethyl-2-(3-methoxyphenyl)ethanamine?
The InChIKey is WSPVURPVOWOYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-4-14(5-2)10-9-12-7-6-8-13(11-12)15-3/h6-8,11H,4-5,9-10H2,1-3H3.
What are the key properties of N,N-diethyl-2-(3-methoxyphenyl)ethanamine?
N,N-diethyl-2-(3-methoxyphenyl)ethanamine has a molecular weight of 207.32 g/mol, XLogP of 2.58, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(3-methoxyphenyl)ethanamine is sourced from PubChem (CID 69380986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).