1-(2,5-dimethylphenyl)-N-ethyl-3-(1-methoxycyclobutyl)propan-2-amine

C18H29NO — CID 103556957

IUPAC1-(2,5-dimethylphenyl)-N-ethyl-3-(1-methoxycyclobutyl)propan-2-amine
SMILESCCNC(Cc1cc(C)ccc1C)CC1(OC)CCC1
InChIInChI=1S/C18H29NO/c1-5-19-17(13-18(20-4)9-6-10-18)12-16-11-14(2)7-8-15(16)3/h7-8,11,17,19H,5-6,9-10,12-13H2,1-4H3
InChIKeyHIBKVVFIXYURCQ-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.78
Rot. Bonds7

About 1-(2,5-dimethylphenyl)-N-ethyl-3-(1-methoxycyclobutyl)propan-2-amine

1-(2,5-dimethylphenyl)-N-ethyl-3-(1-methoxycyclobutyl)propan-2-amine (PubChem CID 103556957) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-N-ethyl-3-(1-methoxycyclobutyl)propan-2-amine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-N-ethyl-3-(1-methoxycyclobutyl)propan-2-amine
PubChem CID103556957
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name1-(2,5-dimethylphenyl)-N-ethyl-3-(1-methoxycyclobutyl)propan-2-amine
SMILESCCNC(Cc1cc(C)ccc1C)CC1(OC)CCC1
InChIInChI=1S/C18H29NO/c1-5-19-17(13-18(20-4)9-6-10-18)12-16-11-14(2)7-8-15(16)3/h7-8,11,17,19H,5-6,9-10,12-13H2,1-4H3
InChIKeyHIBKVVFIXYURCQ-UHFFFAOYSA-N
XLogP3.78
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 ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(1-methoxycyclobutyl)-3-(5-methyl-2-pyridinyl)propan-2-amine
CID 103557054
1-(2,5-dimethylphenyl)-N-ethylpentan-2-amine
CID 61482090
1-(2,5-dimethylphenyl)-N-[(1-methoxycyclobutyl)methyl]methanamine
CID 113362738
N-ethyl-1-(3-fluorophenyl)-3-(1-methoxycyclobutyl)propan-2-amine
CID 103556929
1-(2,5-dimethylphenyl)-N-ethyl-5-methoxypentan-2-amine
CID 65092524
1-(1-methoxycyclobutyl)-3-(5-methyl-2-pyridinyl)-N-propylpropan-2-amine
CID 103557055
1-(2,5-dimethylphenyl)-N-ethyl-3-phenylpropan-2-amine
CID 61482245
1-(2,5-dimethylphenyl)-2-(1-methoxycyclobutyl)ethanamine
CID 103556115
1-(1-methoxycyclobutyl)-3-(2-methoxy-5-methylphenyl)propan-2-amine
CID 103559132
1-(1-methoxycyclobutyl)-3-(2-methoxy-5-methylphenyl)propan-2-ol
CID 103560056
1-(1-methoxycyclobutyl)-3-(3-methyl-2-pyridinyl)-N-propylpropan-2-amine
CID 103557053
N,4-diethyl-1-(1-methoxycyclobutyl)hexan-2-amine
CID 103559751

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-N-ethyl-3-(1-methoxycyclobutyl)propan-2-amine?
The IUPAC name of 1-(2,5-dimethylphenyl)-N-ethyl-3-(1-methoxycyclobutyl)propan-2-amine (CID 103556957) is 1-(2,5-dimethylphenyl)-N-ethyl-3-(1-methoxycyclobutyl)propan-2-amine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-N-ethyl-3-(1-methoxycyclobutyl)propan-2-amine?
The canonical SMILES for 1-(2,5-dimethylphenyl)-N-ethyl-3-(1-methoxycyclobutyl)propan-2-amine is CCNC(Cc1cc(C)ccc1C)CC1(OC)CCC1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-N-ethyl-3-(1-methoxycyclobutyl)propan-2-amine?
The InChIKey is HIBKVVFIXYURCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-5-19-17(13-18(20-4)9-6-10-18)12-16-11-14(2)7-8-15(16)3/h7-8,11,17,19H,5-6,9-10,12-13H2,1-4H3.
What are the key properties of 1-(2,5-dimethylphenyl)-N-ethyl-3-(1-methoxycyclobutyl)propan-2-amine?
1-(2,5-dimethylphenyl)-N-ethyl-3-(1-methoxycyclobutyl)propan-2-amine has a molecular weight of 275.44 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-N-ethyl-3-(1-methoxycyclobutyl)propan-2-amine is sourced from PubChem (CID 103556957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).