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

C18H29NO — CID 103559256

IUPACN-[1-(2,3-dimethylphenyl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine
SMILESCCCNC(CC1(OC)CCC1)c1cccc(C)c1C
InChIInChI=1S/C18H29NO/c1-5-12-19-17(13-18(20-4)10-7-11-18)16-9-6-8-14(2)15(16)3/h6,8-9,17,19H,5,7,10-13H2,1-4H3
InChIKeySTGGCXLZVAGVQK-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.30
Rot. Bonds7

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

N-[1-(2,3-dimethylphenyl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine (PubChem CID 103559256) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is N-[1-(2,3-dimethylphenyl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(2,3-dimethylphenyl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine
PubChem CID103559256
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameN-[1-(2,3-dimethylphenyl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine
SMILESCCCNC(CC1(OC)CCC1)c1cccc(C)c1C
InChIInChI=1S/C18H29NO/c1-5-12-19-17(13-18(20-4)10-7-11-18)16-9-6-8-14(2)15(16)3/h6,8-9,17,19H,5,7,10-13H2,1-4H3
InChIKeySTGGCXLZVAGVQK-UHFFFAOYSA-N
XLogP4.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.30
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-(3-ethylphenyl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine
CID 103559669
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-(2,3-dimethylphenyl)-N-propylpentan-1-amine
CID 79412672
N-[1-(5-bromo-4-methylthiophen-2-yl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine
CID 103556428
N-[1-(4-bromo-2,5-difluorophenyl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine
CID 103556382
1-(2,3-dimethylphenyl)-N',N'-dimethyl-N-propylethane-1,2-diamine
CID 79088664
1-(1-methoxycyclobutyl)-3-(3-methyl-2-pyridinyl)-N-propylpropan-2-amine
CID 103557053
N-[1-(2,3-dihydrofuran-5-yl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine
CID 103559989
1-(2-cyclobutylphenyl)-N-ethyl-2-(1-methoxycyclobutyl)ethanamine
CID 103559941

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dimethylphenyl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(2,3-dimethylphenyl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine (CID 103559256) is N-[1-(2,3-dimethylphenyl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(2,3-dimethylphenyl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(2,3-dimethylphenyl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine is CCCNC(CC1(OC)CCC1)c1cccc(C)c1C.
What is the InChIKey of N-[1-(2,3-dimethylphenyl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine?
The InChIKey is STGGCXLZVAGVQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-5-12-19-17(13-18(20-4)10-7-11-18)16-9-6-8-14(2)15(16)3/h6,8-9,17,19H,5,7,10-13H2,1-4H3.
What are the key properties of N-[1-(2,3-dimethylphenyl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine?
N-[1-(2,3-dimethylphenyl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dimethylphenyl)-2-(1-methoxycyclobutyl)ethyl]propan-1-amine is sourced from PubChem (CID 103559256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).