N-[1-(3-ethylphenyl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine

C18H29NO — CID 103559669

IUPACN-[1-(3-ethylphenyl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine
SMILESCCCNC(CC1(OC)CCC1)c1cccc(CC)c1
InChIInChI=1S/C18H29NO/c1-4-12-19-17(14-18(20-3)10-7-11-18)16-9-6-8-15(5-2)13-16/h6,8-9,13,17,19H,4-5,7,10-12,14H2,1-3H3
InChIKeyZZQZHNZVFOOANQ-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.25
Rot. Bonds8

About N-[1-(3-ethylphenyl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine

N-[1-(3-ethylphenyl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine (PubChem CID 103559669) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is N-[1-(3-ethylphenyl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(3-ethylphenyl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine
PubChem CID103559669
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameN-[1-(3-ethylphenyl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine
SMILESCCCNC(CC1(OC)CCC1)c1cccc(CC)c1
InChIInChI=1S/C18H29NO/c1-4-12-19-17(14-18(20-3)10-7-11-18)16-9-6-8-15(5-2)13-16/h6,8-9,13,17,19H,4-5,7,10-12,14H2,1-3H3
InChIKeyZZQZHNZVFOOANQ-UHFFFAOYSA-N
XLogP4.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(1-methoxycyclobutyl)-1-(3-methylphenyl)ethyl]propan-1-amine
CID 103559035
N-[1-(3-chloro-4-methylphenyl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine
CID 107561577
N-[1-(4-fluoro-3-methylphenyl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine
CID 103556420
N-[1-(furan-3-yl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine
CID 103559312
1-(3-chlorophenyl)-N-ethyl-2-(1-methoxycyclobutyl)ethanamine
CID 103559092
N-[1-(2,3-dimethylphenyl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine
CID 103559256
N-ethyl-1-(4-ethylphenyl)-2-(1-methoxycyclobutyl)ethanamine
CID 103556238
N-ethyl-2-(1-methoxycyclobutyl)-1-phenylethanamine
CID 103556215
N-ethyl-2-(1-methoxycyclobutyl)-1-(3-propan-2-yloxyphenyl)ethanamine
CID 103559672
N-[(3-ethylphenyl)-(4-methoxyoxan-4-yl)methyl]propan-1-amine
CID 116765233
4-ethoxy-1-(3-ethylphenyl)-N-propylbutan-1-amine
CID 105171242
1-(3-chlorophenyl)-2-(1-methoxycyclobutyl)-N-methylethanamine
CID 103559094

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-ethylphenyl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(3-ethylphenyl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine (CID 103559669) is N-[1-(3-ethylphenyl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(3-ethylphenyl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(3-ethylphenyl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine is CCCNC(CC1(OC)CCC1)c1cccc(CC)c1.
What is the InChIKey of N-[1-(3-ethylphenyl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine?
The InChIKey is ZZQZHNZVFOOANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-4-12-19-17(14-18(20-3)10-7-11-18)16-9-6-8-15(5-2)13-16/h6,8-9,13,17,19H,4-5,7,10-12,14H2,1-3H3.
What are the key properties of N-[1-(3-ethylphenyl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine?
N-[1-(3-ethylphenyl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 4.25, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-ethylphenyl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine is sourced from PubChem (CID 103559669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).