N-[[5-(1-aminoethyl)-2-methoxyphenyl]methyl]-N-ethyl-2-methylpropan-1-amine

C16H28N2O — CID 60861216

IUPACN-[[5-(1-aminoethyl)-2-methoxyphenyl]methyl]-N-ethyl-2-methylpropan-1-amine
SMILESCCN(Cc1cc(C(C)N)ccc1OC)CC(C)C
InChIInChI=1S/C16H28N2O/c1-6-18(10-12(2)3)11-15-9-14(13(4)17)7-8-16(15)19-5/h7-9,12-13H,6,10-11,17H2,1-5H3
InChIKeyRLNNQMKZYMHEJT-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.19
Rot. Bonds7

About N-[[5-(1-aminoethyl)-2-methoxyphenyl]methyl]-N-ethyl-2-methylpropan-1-amine

N-[[5-(1-aminoethyl)-2-methoxyphenyl]methyl]-N-ethyl-2-methylpropan-1-amine (PubChem CID 60861216) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is N-[[5-(1-aminoethyl)-2-methoxyphenyl]methyl]-N-ethyl-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[5-(1-aminoethyl)-2-methoxyphenyl]methyl]-N-ethyl-2-methylpropan-1-amine
PubChem CID60861216
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC NameN-[[5-(1-aminoethyl)-2-methoxyphenyl]methyl]-N-ethyl-2-methylpropan-1-amine
SMILESCCN(Cc1cc(C(C)N)ccc1OC)CC(C)C
InChIInChI=1S/C16H28N2O/c1-6-18(10-12(2)3)11-15-9-14(13(4)17)7-8-16(15)19-5/h7-9,12-13H,6,10-11,17H2,1-5H3
InChIKeyRLNNQMKZYMHEJT-UHFFFAOYSA-N
XLogP3.19
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-N-ethyl-2-methylpropan-1-amine
CID 65340694
1-[4-methoxy-3-(methylsulfanylmethyl)phenyl]ethanamine
CID 64626883
1-[3-[(4-ethylpiperazin-1-yl)methyl]-4-methoxyphenyl]ethanamine
CID 60860556
N-[[5-(1-aminoethyl)-2-methoxyphenyl]methyl]-N,1-dimethylpiperidin-4-amine
CID 60860252
3-[[bis(3-methylbutyl)amino]methyl]-4-methoxyaniline
CID 107869299
4-[[ethyl(2-methylpropyl)amino]methyl]-2-methoxyphenol
CID 82977222
1-[4-methoxy-3-(1,2,4-triazol-1-ylmethyl)phenyl]ethanamine
CID 54927768
(1S)-1-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]ethanamine
CID 93342575
1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethanamine
CID 16788840
(1R)-1-(3-ethoxy-4-methoxyphenyl)ethanamine;hydrochloride
CID 171210806
1-(3-ethoxy-4-methoxyphenyl)ethanamine;hydrochloride
CID 22669266
1-[3-(aminomethyl)-4-methoxyphenyl]-N,N-diethylethanamine
CID 105498192

Frequently Asked Questions

What is the IUPAC name of N-[[5-(1-aminoethyl)-2-methoxyphenyl]methyl]-N-ethyl-2-methylpropan-1-amine?
The IUPAC name of N-[[5-(1-aminoethyl)-2-methoxyphenyl]methyl]-N-ethyl-2-methylpropan-1-amine (CID 60861216) is N-[[5-(1-aminoethyl)-2-methoxyphenyl]methyl]-N-ethyl-2-methylpropan-1-amine.
What is the SMILES notation for N-[[5-(1-aminoethyl)-2-methoxyphenyl]methyl]-N-ethyl-2-methylpropan-1-amine?
The canonical SMILES for N-[[5-(1-aminoethyl)-2-methoxyphenyl]methyl]-N-ethyl-2-methylpropan-1-amine is CCN(Cc1cc(C(C)N)ccc1OC)CC(C)C.
What is the InChIKey of N-[[5-(1-aminoethyl)-2-methoxyphenyl]methyl]-N-ethyl-2-methylpropan-1-amine?
The InChIKey is RLNNQMKZYMHEJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-6-18(10-12(2)3)11-15-9-14(13(4)17)7-8-16(15)19-5/h7-9,12-13H,6,10-11,17H2,1-5H3.
What are the key properties of N-[[5-(1-aminoethyl)-2-methoxyphenyl]methyl]-N-ethyl-2-methylpropan-1-amine?
N-[[5-(1-aminoethyl)-2-methoxyphenyl]methyl]-N-ethyl-2-methylpropan-1-amine has a molecular weight of 264.41 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(1-aminoethyl)-2-methoxyphenyl]methyl]-N-ethyl-2-methylpropan-1-amine is sourced from PubChem (CID 60861216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).