1-(3-cyclobutylphenyl)-1-(1-ethoxycyclopentyl)-N-methylmethanamine

C19H29NO — CID 114604846

IUPAC1-(3-cyclobutylphenyl)-1-(1-ethoxycyclopentyl)-N-methylmethanamine
SMILESCCOC1(C(NC)c2cccc(C3CCC3)c2)CCCC1
InChIInChI=1S/C19H29NO/c1-3-21-19(12-4-5-13-19)18(20-2)17-11-7-10-16(14-17)15-8-6-9-15/h7,10-11,14-15,18,20H,3-6,8-9,12-13H2,1-2H3
InChIKeyJHUBKTYRDWDZPE-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.56
Rot. Bonds6

About 1-(3-cyclobutylphenyl)-1-(1-ethoxycyclopentyl)-N-methylmethanamine

1-(3-cyclobutylphenyl)-1-(1-ethoxycyclopentyl)-N-methylmethanamine (PubChem CID 114604846) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is 1-(3-cyclobutylphenyl)-1-(1-ethoxycyclopentyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-cyclobutylphenyl)-1-(1-ethoxycyclopentyl)-N-methylmethanamine
PubChem CID114604846
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name1-(3-cyclobutylphenyl)-1-(1-ethoxycyclopentyl)-N-methylmethanamine
SMILESCCOC1(C(NC)c2cccc(C3CCC3)c2)CCCC1
InChIInChI=1S/C19H29NO/c1-3-21-19(12-4-5-13-19)18(20-2)17-11-7-10-16(14-17)15-8-6-9-15/h7,10-11,14-15,18,20H,3-6,8-9,12-13H2,1-2H3
InChIKeyJHUBKTYRDWDZPE-UHFFFAOYSA-N
XLogP4.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-ethoxycyclohexyl)-1-(3-ethylphenyl)-N-methylmethanamine
CID 116763952
1-(3-chlorophenyl)-1-(1-ethoxycycloheptyl)-N-methylmethanamine
CID 116770877
1-(1-ethoxycyclohexyl)-1-(3-fluorophenyl)-N-methylmethanamine
CID 116763933
1-(1-ethoxycyclopentyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 116761869
1-(1-ethoxycycloheptyl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine
CID 116770881
1-(3,5-dimethoxyphenyl)-1-(1-ethoxycyclopentyl)-N-methylmethanamine
CID 116761840
(3-cyclobutylphenyl)-(1-methoxycyclohexyl)methanol
CID 114602493
[(1-ethoxycyclohexyl)-(3-fluorophenyl)methyl]hydrazine
CID 105276324
1-(4-ethoxyoxan-4-yl)-1-(3-methoxyphenyl)-N-methylmethanamine
CID 116765647
1-(2,6-dimethoxyphenyl)-1-(1-ethoxycyclopentyl)-N-methylmethanamine
CID 116810820
1-(3-cyclobutylphenyl)-2-methoxy-N-methylethanamine
CID 114602794
N-[(1-ethoxycyclohexyl)-(3-methylphenyl)methyl]ethanamine
CID 116764104

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclobutylphenyl)-1-(1-ethoxycyclopentyl)-N-methylmethanamine?
The IUPAC name of 1-(3-cyclobutylphenyl)-1-(1-ethoxycyclopentyl)-N-methylmethanamine (CID 114604846) is 1-(3-cyclobutylphenyl)-1-(1-ethoxycyclopentyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-cyclobutylphenyl)-1-(1-ethoxycyclopentyl)-N-methylmethanamine?
The canonical SMILES for 1-(3-cyclobutylphenyl)-1-(1-ethoxycyclopentyl)-N-methylmethanamine is CCOC1(C(NC)c2cccc(C3CCC3)c2)CCCC1.
What is the InChIKey of 1-(3-cyclobutylphenyl)-1-(1-ethoxycyclopentyl)-N-methylmethanamine?
The InChIKey is JHUBKTYRDWDZPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-3-21-19(12-4-5-13-19)18(20-2)17-11-7-10-16(14-17)15-8-6-9-15/h7,10-11,14-15,18,20H,3-6,8-9,12-13H2,1-2H3.
What are the key properties of 1-(3-cyclobutylphenyl)-1-(1-ethoxycyclopentyl)-N-methylmethanamine?
1-(3-cyclobutylphenyl)-1-(1-ethoxycyclopentyl)-N-methylmethanamine has a molecular weight of 287.45 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclobutylphenyl)-1-(1-ethoxycyclopentyl)-N-methylmethanamine is sourced from PubChem (CID 114604846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).