N-[[4-[(2-ethylpiperidin-1-yl)methyl]-2-methoxyphenyl]methyl]propan-2-amine

C19H32N2O — CID 84745826

IUPACN-[[4-[(2-ethylpiperidin-1-yl)methyl]-2-methoxyphenyl]methyl]propan-2-amine
SMILESCCC1CCCCN1Cc1ccc(CNC(C)C)c(OC)c1
InChIInChI=1S/C19H32N2O/c1-5-18-8-6-7-11-21(18)14-16-9-10-17(13-20-15(2)3)19(12-16)22-4/h9-10,12,15,18,20H,5-8,11,13-14H2,1-4H3
InChIKeyFGQVKZYGGZEQLN-UHFFFAOYSA-N
MW304.48 g/mol
LogP3.96
Rot. Bonds7

About N-[[4-[(2-ethylpiperidin-1-yl)methyl]-2-methoxyphenyl]methyl]propan-2-amine

N-[[4-[(2-ethylpiperidin-1-yl)methyl]-2-methoxyphenyl]methyl]propan-2-amine (PubChem CID 84745826) has the molecular formula C19H32N2O and a molecular weight of 304.48 g/mol. Its IUPAC name is N-[[4-[(2-ethylpiperidin-1-yl)methyl]-2-methoxyphenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-[(2-ethylpiperidin-1-yl)methyl]-2-methoxyphenyl]methyl]propan-2-amine
PubChem CID84745826
Molecular FormulaC19H32N2O
Molecular Weight304.48 g/mol
Exact Mass304.25
IUPAC NameN-[[4-[(2-ethylpiperidin-1-yl)methyl]-2-methoxyphenyl]methyl]propan-2-amine
SMILESCCC1CCCCN1Cc1ccc(CNC(C)C)c(OC)c1
InChIInChI=1S/C19H32N2O/c1-5-18-8-6-7-11-21(18)14-16-9-10-17(13-20-15(2)3)19(12-16)22-4/h9-10,12,15,18,20H,5-8,11,13-14H2,1-4H3
InChIKeyFGQVKZYGGZEQLN-UHFFFAOYSA-N
XLogP3.96
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[4-[(2-ethylpiperidin-1-yl)methyl]-2-methoxyphenyl]methyl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[2-methoxy-4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]propan-2-amine
CID 84745879
[1-[[4-(aminomethyl)-3-methoxyphenyl]methyl]piperidin-2-yl]methanol
CID 106785288
4-[(2-ethylazepan-1-yl)methyl]-2-methoxybenzenecarbothioamide
CID 106788955
1-[(3-bromo-4-methoxyphenyl)methyl]-2-ethylpyrrolidine
CID 54971394
(2R)-2-ethyl-1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidine
CID 783211
N-[[6-[(2-ethylazepan-1-yl)methyl]-3-pyridinyl]methyl]propan-2-amine
CID 104692323
2-(chloromethyl)-1-[(3,4-dimethoxyphenyl)methyl]azepane
CID 116638601
N-[[5-[(2-ethylpiperidin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine
CID 62420838
5-[(2-ethylpiperidin-1-yl)methyl]-2-methoxybenzenecarboximidamide
CID 65338983
N-[[5-[(2-ethylazepan-1-yl)methyl]furan-3-yl]methyl]propan-2-amine
CID 104692369
N-[[4-[(2-ethylpiperidin-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-2-amine
CID 62422888
N-[[1-[(3-methoxyphenyl)methyl]piperidin-2-yl]methyl]propan-2-amine
CID 62581473

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2-ethylpiperidin-1-yl)methyl]-2-methoxyphenyl]methyl]propan-2-amine?
The IUPAC name of N-[[4-[(2-ethylpiperidin-1-yl)methyl]-2-methoxyphenyl]methyl]propan-2-amine (CID 84745826) is N-[[4-[(2-ethylpiperidin-1-yl)methyl]-2-methoxyphenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-[(2-ethylpiperidin-1-yl)methyl]-2-methoxyphenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-[(2-ethylpiperidin-1-yl)methyl]-2-methoxyphenyl]methyl]propan-2-amine is CCC1CCCCN1Cc1ccc(CNC(C)C)c(OC)c1.
What is the InChIKey of N-[[4-[(2-ethylpiperidin-1-yl)methyl]-2-methoxyphenyl]methyl]propan-2-amine?
The InChIKey is FGQVKZYGGZEQLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O/c1-5-18-8-6-7-11-21(18)14-16-9-10-17(13-20-15(2)3)19(12-16)22-4/h9-10,12,15,18,20H,5-8,11,13-14H2,1-4H3.
What are the key properties of N-[[4-[(2-ethylpiperidin-1-yl)methyl]-2-methoxyphenyl]methyl]propan-2-amine?
N-[[4-[(2-ethylpiperidin-1-yl)methyl]-2-methoxyphenyl]methyl]propan-2-amine has a molecular weight of 304.48 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2-ethylpiperidin-1-yl)methyl]-2-methoxyphenyl]methyl]propan-2-amine is sourced from PubChem (CID 84745826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).