N-[(4-ethylphenyl)-(1-methoxycyclobutyl)methyl]ethanamine

C16H25NO — CID 116714561

IUPACN-[(4-ethylphenyl)-(1-methoxycyclobutyl)methyl]ethanamine
SMILESCCNC(c1ccc(CC)cc1)C1(OC)CCC1
InChIInChI=1S/C16H25NO/c1-4-13-7-9-14(10-8-13)15(17-5-2)16(18-3)11-6-12-16/h7-10,15,17H,4-6,11-12H2,1-3H3
InChIKeyLKBPFHGSPBBDLJ-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.47
Rot. Bonds6

About N-[(4-ethylphenyl)-(1-methoxycyclobutyl)methyl]ethanamine

N-[(4-ethylphenyl)-(1-methoxycyclobutyl)methyl]ethanamine (PubChem CID 116714561) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-[(4-ethylphenyl)-(1-methoxycyclobutyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-ethylphenyl)-(1-methoxycyclobutyl)methyl]ethanamine
PubChem CID116714561
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-[(4-ethylphenyl)-(1-methoxycyclobutyl)methyl]ethanamine
SMILESCCNC(c1ccc(CC)cc1)C1(OC)CCC1
InChIInChI=1S/C16H25NO/c1-4-13-7-9-14(10-8-13)15(17-5-2)16(18-3)11-6-12-16/h7-10,15,17H,4-6,11-12H2,1-3H3
InChIKeyLKBPFHGSPBBDLJ-UHFFFAOYSA-N
XLogP3.47
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-chlorophenyl)-(1-methoxycyclobutyl)methyl]ethanamine
CID 116714564
N-[(1-methoxycyclopentyl)-(4-methylphenyl)methyl]ethanamine
CID 104611192
N-[(4-chlorophenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methyl]ethanamine
CID 116769611
N-[(4-ethylphenyl)-(4-methoxyoxan-4-yl)methyl]propan-1-amine
CID 116765167
N-[(3,4-dichlorophenyl)-(1-methoxycyclopentyl)methyl]ethanamine
CID 104611302
N-ethyl-1-(4-ethylphenyl)-2-(1-methoxycyclobutyl)ethanamine
CID 103556238
N-[(1-methoxycyclobutyl)-(4-methoxyphenyl)methyl]propan-1-amine
CID 116714736
N-[(1-methoxycyclobutyl)-(2-methylquinolin-6-yl)methyl]ethanamine
CID 116714645
N-[(1-ethoxycycloheptyl)-(4-methylphenyl)methyl]ethanamine
CID 116771044
N-[(1-ethoxycyclopentyl)-(4-fluorophenyl)methyl]ethanamine
CID 116762251
N-[(1-methoxycyclobutyl)-(3-propan-2-yloxyphenyl)methyl]ethanamine
CID 116714647
N-[(1-ethoxycyclopentyl)-phenylmethyl]ethanamine
CID 116762125

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)-(1-methoxycyclobutyl)methyl]ethanamine?
The IUPAC name of N-[(4-ethylphenyl)-(1-methoxycyclobutyl)methyl]ethanamine (CID 116714561) is N-[(4-ethylphenyl)-(1-methoxycyclobutyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-ethylphenyl)-(1-methoxycyclobutyl)methyl]ethanamine?
The canonical SMILES for N-[(4-ethylphenyl)-(1-methoxycyclobutyl)methyl]ethanamine is CCNC(c1ccc(CC)cc1)C1(OC)CCC1.
What is the InChIKey of N-[(4-ethylphenyl)-(1-methoxycyclobutyl)methyl]ethanamine?
The InChIKey is LKBPFHGSPBBDLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-4-13-7-9-14(10-8-13)15(17-5-2)16(18-3)11-6-12-16/h7-10,15,17H,4-6,11-12H2,1-3H3.
What are the key properties of N-[(4-ethylphenyl)-(1-methoxycyclobutyl)methyl]ethanamine?
N-[(4-ethylphenyl)-(1-methoxycyclobutyl)methyl]ethanamine has a molecular weight of 247.38 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)-(1-methoxycyclobutyl)methyl]ethanamine is sourced from PubChem (CID 116714561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).