N-[(1-methoxycyclobutyl)-(4-methoxyphenyl)methyl]propan-1-amine

C16H25NO2 — CID 116714736

IUPACN-[(1-methoxycyclobutyl)-(4-methoxyphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(OC)cc1)C1(OC)CCC1
InChIInChI=1S/C16H25NO2/c1-4-12-17-15(16(19-3)10-5-11-16)13-6-8-14(18-2)9-7-13/h6-9,15,17H,4-5,10-12H2,1-3H3
InChIKeyIITZMNZXXRDERC-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.31
Rot. Bonds7

About N-[(1-methoxycyclobutyl)-(4-methoxyphenyl)methyl]propan-1-amine

N-[(1-methoxycyclobutyl)-(4-methoxyphenyl)methyl]propan-1-amine (PubChem CID 116714736) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[(1-methoxycyclobutyl)-(4-methoxyphenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(1-methoxycyclobutyl)-(4-methoxyphenyl)methyl]propan-1-amine
PubChem CID116714736
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-[(1-methoxycyclobutyl)-(4-methoxyphenyl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(OC)cc1)C1(OC)CCC1
InChIInChI=1S/C16H25NO2/c1-4-12-17-15(16(19-3)10-5-11-16)13-6-8-14(18-2)9-7-13/h6-9,15,17H,4-5,10-12H2,1-3H3
InChIKeyIITZMNZXXRDERC-UHFFFAOYSA-N
XLogP3.31
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 ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,4-dimethoxyphenyl)-(1-methoxycyclobutyl)methyl]propan-1-amine
CID 116714856
[(1-methoxycyclobutyl)-(4-methoxyphenyl)methyl]hydrazine
CID 105270350
N-[(4-chloro-3-methoxyphenyl)-(1-methoxycyclobutyl)methyl]propan-1-amine
CID 116714786
N-[(1-methoxycyclobutyl)-quinolin-6-ylmethyl]propan-1-amine
CID 116714935
N-[(4-ethylphenyl)-(4-methoxyoxan-4-yl)methyl]propan-1-amine
CID 116765167
N-[(4-ethylphenyl)-(1-methoxycyclobutyl)methyl]ethanamine
CID 116714561
N-[(4-chlorophenyl)-(1-methoxycyclobutyl)methyl]ethanamine
CID 116714564
N-[(1-ethoxycyclopentyl)-(4-fluorophenyl)methyl]propan-1-amine
CID 116762445
N-[(3,5-difluorophenyl)-(1-methoxycyclohexyl)methyl]propan-1-amine
CID 116763465
N-[(4-chlorophenyl)-(1-ethoxycyclohexyl)methyl]propan-1-amine
CID 116764229
N-[(1-methoxycyclobutyl)-(5-propan-2-yloxy-3-pyridinyl)methyl]propan-1-amine
CID 116714896
N-[(1-methoxycyclopentyl)-(4-methylphenyl)methyl]ethanamine
CID 104611192

Frequently Asked Questions

What is the IUPAC name of N-[(1-methoxycyclobutyl)-(4-methoxyphenyl)methyl]propan-1-amine?
The IUPAC name of N-[(1-methoxycyclobutyl)-(4-methoxyphenyl)methyl]propan-1-amine (CID 116714736) is N-[(1-methoxycyclobutyl)-(4-methoxyphenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(1-methoxycyclobutyl)-(4-methoxyphenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(1-methoxycyclobutyl)-(4-methoxyphenyl)methyl]propan-1-amine is CCCNC(c1ccc(OC)cc1)C1(OC)CCC1.
What is the InChIKey of N-[(1-methoxycyclobutyl)-(4-methoxyphenyl)methyl]propan-1-amine?
The InChIKey is IITZMNZXXRDERC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-4-12-17-15(16(19-3)10-5-11-16)13-6-8-14(18-2)9-7-13/h6-9,15,17H,4-5,10-12H2,1-3H3.
What are the key properties of N-[(1-methoxycyclobutyl)-(4-methoxyphenyl)methyl]propan-1-amine?
N-[(1-methoxycyclobutyl)-(4-methoxyphenyl)methyl]propan-1-amine has a molecular weight of 263.38 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methoxycyclobutyl)-(4-methoxyphenyl)methyl]propan-1-amine is sourced from PubChem (CID 116714736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).