1-[[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methylamino]methyl]cyclobutan-1-ol

C18H28N2O2 — CID 111114650

IUPAC1-[[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methylamino]methyl]cyclobutan-1-ol
SMILESOC1(CNCc2ccc(OCCN3CCCC3)cc2)CCC1
InChIInChI=1S/C18H28N2O2/c21-18(8-3-9-18)15-19-14-16-4-6-17(7-5-16)22-13-12-20-10-1-2-11-20/h4-7,19,21H,1-3,8-15H2
InChIKeyAKWSGTFQDOLDFQ-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.17
Rot. Bonds8

About 1-[[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methylamino]methyl]cyclobutan-1-ol

1-[[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methylamino]methyl]cyclobutan-1-ol (PubChem CID 111114650) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 1-[[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methylamino]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name1-[[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methylamino]methyl]cyclobutan-1-ol
PubChem CID111114650
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name1-[[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methylamino]methyl]cyclobutan-1-ol
SMILESOC1(CNCc2ccc(OCCN3CCCC3)cc2)CCC1
InChIInChI=1S/C18H28N2O2/c21-18(8-3-9-18)15-19-14-16-4-6-17(7-5-16)22-13-12-20-10-1-2-11-20/h4-7,19,21H,1-3,8-15H2
InChIKeyAKWSGTFQDOLDFQ-UHFFFAOYSA-N
XLogP2.17
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methylamino]methyl]cyclobutan-1-ol with MolForge

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Related Compounds

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CID 104469
(2-Ethoxy-benzyl)-(tetrahydro-furan-2-ylmethyl)-amine hydrochloride
CID 2960040
N-[(4-ethoxyphenyl)methyl]-2-pyrrolidin-1-ylethanamine;oxalic acid
CID 23724229
Diethyl-[2-(4-piperidin-1-ylmethyl-phenoxy)-ethyl]-amine
CID 11808427
(2R,3R,4S)-2-[[[(1R)-2-hydroxy-1-(4-prop-2-enoxyphenyl)ethyl]amino]methyl]pyrrolidine-3,4-diol
CID 44177400
p-(2-(Dimethylamino)ethoxy)benzylamine
CID 88349
2-[4-[(4-Hexoxyphenyl)methyl]piperazin-1-yl]ethanol
CID 2845552
2-[4-[(4-Butoxyphenyl)methyl]piperazin-1-yl]ethanol
CID 2845745
4-{[(4-isopropoxybenzyl)amino]methyl}-2,2-dimethyltetrahydro-2H-pyran-4-ol
CID 2901371
4-{[4-(Benzyloxy)benzyl]amino}-1-butanol hydrochloride
CID 2958360
N,N-dimethyl-2-[4-(piperidin-1-ylmethyl)phenoxy]ethanamine
CID 44351678
N,N-dibutyl-6-(4-((diethylamino)methyl)phenoxy)hexan-1-amine
CID 46890024

Frequently Asked Questions

What is the IUPAC name of 1-[[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methylamino]methyl]cyclobutan-1-ol?
The IUPAC name of 1-[[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methylamino]methyl]cyclobutan-1-ol (CID 111114650) is 1-[[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methylamino]methyl]cyclobutan-1-ol.
What is the SMILES notation for 1-[[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methylamino]methyl]cyclobutan-1-ol?
The canonical SMILES for 1-[[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methylamino]methyl]cyclobutan-1-ol is OC1(CNCc2ccc(OCCN3CCCC3)cc2)CCC1.
What is the InChIKey of 1-[[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methylamino]methyl]cyclobutan-1-ol?
The InChIKey is AKWSGTFQDOLDFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c21-18(8-3-9-18)15-19-14-16-4-6-17(7-5-16)22-13-12-20-10-1-2-11-20/h4-7,19,21H,1-3,8-15H2.
What are the key properties of 1-[[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methylamino]methyl]cyclobutan-1-ol?
1-[[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methylamino]methyl]cyclobutan-1-ol has a molecular weight of 304.43 g/mol, XLogP of 2.17, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methylamino]methyl]cyclobutan-1-ol is sourced from PubChem (CID 111114650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).