3-methoxy-N-[4-(4-methoxyphenyl)butan-2-yl]cyclobutan-1-amine

C16H25NO2 — CID 104584500

IUPAC3-methoxy-N-[4-(4-methoxyphenyl)butan-2-yl]cyclobutan-1-amine
SMILESCOc1ccc(CCC(C)NC2CC(OC)C2)cc1
InChIInChI=1S/C16H25NO2/c1-12(17-14-10-16(11-14)19-3)4-5-13-6-8-15(18-2)9-7-13/h6-9,12,14,16-17H,4-5,10-11H2,1-3H3
InChIKeyCVQQZJDMTFSPSE-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.78
Rot. Bonds7

About 3-methoxy-N-[4-(4-methoxyphenyl)butan-2-yl]cyclobutan-1-amine

3-methoxy-N-[4-(4-methoxyphenyl)butan-2-yl]cyclobutan-1-amine (PubChem CID 104584500) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-methoxy-N-[4-(4-methoxyphenyl)butan-2-yl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-[4-(4-methoxyphenyl)butan-2-yl]cyclobutan-1-amine
PubChem CID104584500
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name3-methoxy-N-[4-(4-methoxyphenyl)butan-2-yl]cyclobutan-1-amine
SMILESCOc1ccc(CCC(C)NC2CC(OC)C2)cc1
InChIInChI=1S/C16H25NO2/c1-12(17-14-10-16(11-14)19-3)4-5-13-6-8-15(18-2)9-7-13/h6-9,12,14,16-17H,4-5,10-11H2,1-3H3
InChIKeyCVQQZJDMTFSPSE-UHFFFAOYSA-N
XLogP2.78
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(4-methoxyphenyl)butan-2-yl]cyclohexanamine
CID 43755987
N-[4-(4-methoxyphenyl)butan-2-yl]thian-3-amine
CID 115726558
3-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]cyclobutan-1-amine
CID 106821544
N-[4-(furan-2-yl)butan-2-yl]-3-methoxycyclobutan-1-amine
CID 104584627
N-[1-(4-fluorophenyl)propan-2-yl]-3-methoxycyclobutan-1-amine
CID 113429558
N-(cyclopentylmethyl)-4-(4-methoxyphenyl)butan-2-amine
CID 43775517
N-[4-(4-methoxyphenyl)butan-2-yl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 43792549
N-(4-methoxybutan-2-yl)-4-(4-methoxyphenyl)butan-2-amine
CID 64600673
2-amino-N-[4-(4-methoxyphenyl)butan-2-yl]acetamide
CID 119288095
2-[4-(4-methoxyphenyl)butan-2-ylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120974965
N-hexan-2-yl-3-(4-methoxyphenyl)cyclobutan-1-amine
CID 62199823
N-[4-[4-(difluoromethoxy)phenyl]butan-2-yl]cyclopent-3-en-1-amine
CID 115728460

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[4-(4-methoxyphenyl)butan-2-yl]cyclobutan-1-amine?
The IUPAC name of 3-methoxy-N-[4-(4-methoxyphenyl)butan-2-yl]cyclobutan-1-amine (CID 104584500) is 3-methoxy-N-[4-(4-methoxyphenyl)butan-2-yl]cyclobutan-1-amine.
What is the SMILES notation for 3-methoxy-N-[4-(4-methoxyphenyl)butan-2-yl]cyclobutan-1-amine?
The canonical SMILES for 3-methoxy-N-[4-(4-methoxyphenyl)butan-2-yl]cyclobutan-1-amine is COc1ccc(CCC(C)NC2CC(OC)C2)cc1.
What is the InChIKey of 3-methoxy-N-[4-(4-methoxyphenyl)butan-2-yl]cyclobutan-1-amine?
The InChIKey is CVQQZJDMTFSPSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-12(17-14-10-16(11-14)19-3)4-5-13-6-8-15(18-2)9-7-13/h6-9,12,14,16-17H,4-5,10-11H2,1-3H3.
What are the key properties of 3-methoxy-N-[4-(4-methoxyphenyl)butan-2-yl]cyclobutan-1-amine?
3-methoxy-N-[4-(4-methoxyphenyl)butan-2-yl]cyclobutan-1-amine has a molecular weight of 263.38 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[4-(4-methoxyphenyl)butan-2-yl]cyclobutan-1-amine is sourced from PubChem (CID 104584500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).