1-[3-[2-methoxy-3-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]-N-methylmethanamine

C18H28N2O2 — CID 68619381

IUPAC1-[3-[2-methoxy-3-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]-N-methylmethanamine
SMILESCNCC1CC(Oc2cccc(CN3CCCC3)c2OC)C1
InChIInChI=1S/C18H28N2O2/c1-19-12-14-10-16(11-14)22-17-7-5-6-15(18(17)21-2)13-20-8-3-4-9-20/h5-7,14,16,19H,3-4,8-13H2,1-2H3
InChIKeyFUNYTOJCMBKTMO-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.67
Rot. Bonds7

About 1-[3-[2-methoxy-3-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]-N-methylmethanamine

1-[3-[2-methoxy-3-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]-N-methylmethanamine (PubChem CID 68619381) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 1-[3-[2-methoxy-3-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-[2-methoxy-3-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]-N-methylmethanamine
PubChem CID68619381
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name1-[3-[2-methoxy-3-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]-N-methylmethanamine
SMILESCNCC1CC(Oc2cccc(CN3CCCC3)c2OC)C1
InChIInChI=1S/C18H28N2O2/c1-19-12-14-10-16(11-14)22-17-7-5-6-15(18(17)21-2)13-20-8-3-4-9-20/h5-7,14,16,19H,3-4,8-13H2,1-2H3
InChIKeyFUNYTOJCMBKTMO-UHFFFAOYSA-N
XLogP2.67
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[3-[2-methoxy-3-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]-N-methylmethanamine 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

(3,5-dimethyl-1,2-oxazol-4-yl) N-[[3-[2-methoxy-3-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]-N-methylcarbamate
CID 68620663
N-[[3-[2-chloro-3-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]-3-methoxybutanamide
CID 68633473
[3-[2-chloro-3-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl-methylcarbamic acid;cyclobutane
CID 68620346
N-[[2-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]methyl]hydroxylamine
CID 117420155
1-[1-[(3-chloro-2-ethoxyphenyl)methyl]piperidin-4-yl]-N-methylmethanamine
CID 120838975
N-[[3-[2-chloro-3-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]-2,6-bis(fluoromethyl)benzenesulfonamide
CID 69126016
2-[4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl]ethanol
CID 2223715
1-[(2-chlorophenyl)methyl]-4-[(2,3-dimethoxyphenyl)methyl]piperazine
CID 1126217
1-[(2,3-dimethoxyphenyl)methyl]-N-methylpyrrolidin-3-amine
CID 113281872
1-[(2,3-dimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 23884997
3-tert-butyl-1-[[3-[2-chloro-3-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]-1-methylurea
CID 68619027
1-[(2,3-dimethoxyphenyl)methyl]-4-[[(2S)-1-methylpiperidin-2-yl]methyl]piperazine
CID 97159129

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-methoxy-3-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]-N-methylmethanamine?
The IUPAC name of 1-[3-[2-methoxy-3-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]-N-methylmethanamine (CID 68619381) is 1-[3-[2-methoxy-3-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-[2-methoxy-3-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-[2-methoxy-3-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]-N-methylmethanamine is CNCC1CC(Oc2cccc(CN3CCCC3)c2OC)C1.
What is the InChIKey of 1-[3-[2-methoxy-3-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]-N-methylmethanamine?
The InChIKey is FUNYTOJCMBKTMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-19-12-14-10-16(11-14)22-17-7-5-6-15(18(17)21-2)13-20-8-3-4-9-20/h5-7,14,16,19H,3-4,8-13H2,1-2H3.
What are the key properties of 1-[3-[2-methoxy-3-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]-N-methylmethanamine?
1-[3-[2-methoxy-3-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]-N-methylmethanamine has a molecular weight of 304.43 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-methoxy-3-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]-N-methylmethanamine is sourced from PubChem (CID 68619381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).