1-(4-methoxyphenyl)-N-[[2-(oxolan-2-ylmethoxy)phenyl]methyl]cyclopentan-1-amine

C24H31NO3 — CID 43818929

IUPAC1-(4-methoxyphenyl)-N-[[2-(oxolan-2-ylmethoxy)phenyl]methyl]cyclopentan-1-amine
SMILESCOc1ccc(C2(NCc3ccccc3OCC3CCCO3)CCCC2)cc1
InChIInChI=1S/C24H31NO3/c1-26-21-12-10-20(11-13-21)24(14-4-5-15-24)25-17-19-7-2-3-9-23(19)28-18-22-8-6-16-27-22/h2-3,7,9-13,22,25H,4-6,8,14-18H2,1H3
InChIKeyXQYRXQIZBRFKKR-UHFFFAOYSA-N
MW381.52 g/mol
LogP4.81
Rot. Bonds8

About 1-(4-methoxyphenyl)-N-[[2-(oxolan-2-ylmethoxy)phenyl]methyl]cyclopentan-1-amine

1-(4-methoxyphenyl)-N-[[2-(oxolan-2-ylmethoxy)phenyl]methyl]cyclopentan-1-amine (PubChem CID 43818929) has the molecular formula C24H31NO3 and a molecular weight of 381.52 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-[[2-(oxolan-2-ylmethoxy)phenyl]methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-[[2-(oxolan-2-ylmethoxy)phenyl]methyl]cyclopentan-1-amine
PubChem CID43818929
Molecular FormulaC24H31NO3
Molecular Weight381.52 g/mol
Exact Mass381.23
IUPAC Name1-(4-methoxyphenyl)-N-[[2-(oxolan-2-ylmethoxy)phenyl]methyl]cyclopentan-1-amine
SMILESCOc1ccc(C2(NCc3ccccc3OCC3CCCO3)CCCC2)cc1
InChIInChI=1S/C24H31NO3/c1-26-21-12-10-20(11-13-21)24(14-4-5-15-24)25-17-19-7-2-3-9-23(19)28-18-22-8-6-16-27-22/h2-3,7,9-13,22,25H,4-6,8,14-18H2,1H3
InChIKeyXQYRXQIZBRFKKR-UHFFFAOYSA-N
XLogP4.81
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methoxyphenyl)methyl]-4-(oxolan-2-ylmethoxy)aniline
CID 54799584
2,2-dimethyl-N-[[2-(oxolan-2-ylmethoxy)phenyl]methyl]propan-1-amine
CID 54805225
2-methyl-N-[[2-(oxolan-2-ylmethoxy)phenyl]methyl]propan-1-amine
CID 63063949
N-methyl-1-[2-[2-(oxolan-2-ylmethoxy)ethoxy]phenyl]methanamine
CID 55077796
2-(2-methylphenyl)-N-[[2-(oxolan-2-ylmethoxy)phenyl]methyl]ethanamine
CID 54807643
[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanol
CID 28562688
1-[4-methoxy-2-(oxan-2-ylmethoxy)phenyl]-N-methylmethanamine
CID 61268338
2-(4-methoxyphenoxy)-N-[2-[[(2R)-oxolan-2-yl]methoxy]phenyl]acetamide
CID 41386279
1-[2-(oxolan-2-ylmethoxy)phenyl]-N-(thiophen-2-ylmethyl)methanamine
CID 54849898
N-(furan-2-ylmethyl)-1-[2-(oxolan-2-ylmethoxy)phenyl]methanamine
CID 54850096
N-methyl-1-[2-[2-(oxan-2-ylmethoxy)ethoxy]phenyl]methanamine
CID 62444128
N-[(2-methoxyphenyl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 964934

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-[[2-(oxolan-2-ylmethoxy)phenyl]methyl]cyclopentan-1-amine?
The IUPAC name of 1-(4-methoxyphenyl)-N-[[2-(oxolan-2-ylmethoxy)phenyl]methyl]cyclopentan-1-amine (CID 43818929) is 1-(4-methoxyphenyl)-N-[[2-(oxolan-2-ylmethoxy)phenyl]methyl]cyclopentan-1-amine.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-[[2-(oxolan-2-ylmethoxy)phenyl]methyl]cyclopentan-1-amine?
The canonical SMILES for 1-(4-methoxyphenyl)-N-[[2-(oxolan-2-ylmethoxy)phenyl]methyl]cyclopentan-1-amine is COc1ccc(C2(NCc3ccccc3OCC3CCCO3)CCCC2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-[[2-(oxolan-2-ylmethoxy)phenyl]methyl]cyclopentan-1-amine?
The InChIKey is XQYRXQIZBRFKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO3/c1-26-21-12-10-20(11-13-21)24(14-4-5-15-24)25-17-19-7-2-3-9-23(19)28-18-22-8-6-16-27-22/h2-3,7,9-13,22,25H,4-6,8,14-18H2,1H3.
What are the key properties of 1-(4-methoxyphenyl)-N-[[2-(oxolan-2-ylmethoxy)phenyl]methyl]cyclopentan-1-amine?
1-(4-methoxyphenyl)-N-[[2-(oxolan-2-ylmethoxy)phenyl]methyl]cyclopentan-1-amine has a molecular weight of 381.52 g/mol, XLogP of 4.81, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-[[2-(oxolan-2-ylmethoxy)phenyl]methyl]cyclopentan-1-amine is sourced from PubChem (CID 43818929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).