N-[2-(3-ethoxycyclobutyl)-1-(2-methylphenyl)ethyl]propan-1-amine

C18H29NO — CID 103168245

IUPACN-[2-(3-ethoxycyclobutyl)-1-(2-methylphenyl)ethyl]propan-1-amine
SMILESCCCNC(CC1CC(OCC)C1)c1ccccc1C
InChIInChI=1S/C18H29NO/c1-4-10-19-18(17-9-7-6-8-14(17)3)13-15-11-16(12-15)20-5-2/h6-9,15-16,18-19H,4-5,10-13H2,1-3H3
InChIKeyUUMKEMDZMFKZKH-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.24
Rot. Bonds8

About N-[2-(3-ethoxycyclobutyl)-1-(2-methylphenyl)ethyl]propan-1-amine

N-[2-(3-ethoxycyclobutyl)-1-(2-methylphenyl)ethyl]propan-1-amine (PubChem CID 103168245) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is N-[2-(3-ethoxycyclobutyl)-1-(2-methylphenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(3-ethoxycyclobutyl)-1-(2-methylphenyl)ethyl]propan-1-amine
PubChem CID103168245
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameN-[2-(3-ethoxycyclobutyl)-1-(2-methylphenyl)ethyl]propan-1-amine
SMILESCCCNC(CC1CC(OCC)C1)c1ccccc1C
InChIInChI=1S/C18H29NO/c1-4-10-19-18(17-9-7-6-8-14(17)3)13-15-11-16(12-15)20-5-2/h6-9,15-16,18-19H,4-5,10-13H2,1-3H3
InChIKeyUUMKEMDZMFKZKH-UHFFFAOYSA-N
XLogP4.24
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 ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-cyclopentyl-1-(2-methylphenyl)ethyl]propan-1-amine
CID 63413342
2-(3-ethoxycyclobutyl)-1-(2-ethoxyphenyl)-N-ethylethanamine
CID 103168605
N-[1-(5-bromo-2-methylthiophen-3-yl)-2-(3-ethoxycyclobutyl)ethyl]propan-1-amine
CID 103163194
2-(2-methylphenyl)-2-(propylamino)ethanol
CID 61056185
N-[1-(3-chlorothiophen-2-yl)-2-(3-ethoxycyclobutyl)ethyl]propan-1-amine
CID 103163244
2-cyclopentyl-N-ethyl-1-(2-methylphenyl)ethanamine
CID 55110608
3-cyclopentyl-1-(2-methylphenyl)-N-propylpropan-1-amine
CID 115794758
N-[2-(1,4-dimethylpiperazin-2-yl)-1-(2-methylphenyl)ethyl]propan-1-amine
CID 115415598
N-[1-(3,4-dihydro-2H-pyran-6-yl)-2-(3-ethoxycyclobutyl)ethyl]propan-1-amine
CID 103169804
1-(1-benzothiophen-3-yl)-2-(3-ethoxycyclobutyl)-N-ethylethanamine
CID 103162918
3-ethoxy-N-[(1S)-1-(2-methylphenyl)ethyl]cyclobutan-1-amine
CID 113365044
2-(3-ethoxycyclobutyl)-N-ethyl-1-(2,4,6-trimethylphenyl)ethanamine
CID 103162901

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-ethoxycyclobutyl)-1-(2-methylphenyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(3-ethoxycyclobutyl)-1-(2-methylphenyl)ethyl]propan-1-amine (CID 103168245) is N-[2-(3-ethoxycyclobutyl)-1-(2-methylphenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(3-ethoxycyclobutyl)-1-(2-methylphenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(3-ethoxycyclobutyl)-1-(2-methylphenyl)ethyl]propan-1-amine is CCCNC(CC1CC(OCC)C1)c1ccccc1C.
What is the InChIKey of N-[2-(3-ethoxycyclobutyl)-1-(2-methylphenyl)ethyl]propan-1-amine?
The InChIKey is UUMKEMDZMFKZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-4-10-19-18(17-9-7-6-8-14(17)3)13-15-11-16(12-15)20-5-2/h6-9,15-16,18-19H,4-5,10-13H2,1-3H3.
What are the key properties of N-[2-(3-ethoxycyclobutyl)-1-(2-methylphenyl)ethyl]propan-1-amine?
N-[2-(3-ethoxycyclobutyl)-1-(2-methylphenyl)ethyl]propan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 4.24, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-ethoxycyclobutyl)-1-(2-methylphenyl)ethyl]propan-1-amine is sourced from PubChem (CID 103168245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).