N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-(2,4,6-trimethylphenyl)ethanamine

C18H29NO — CID 103903840

IUPACN-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-(2,4,6-trimethylphenyl)ethanamine
SMILESCOCCC1(CNC(C)c2c(C)cc(C)cc2C)CC1
InChIInChI=1S/C18H29NO/c1-13-10-14(2)17(15(3)11-13)16(4)19-12-18(6-7-18)8-9-20-5/h10-11,16,19H,6-9,12H2,1-5H3
InChIKeyZCNCDPSVHHKQJK-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.08
Rot. Bonds7

About N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-(2,4,6-trimethylphenyl)ethanamine

N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-(2,4,6-trimethylphenyl)ethanamine (PubChem CID 103903840) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-(2,4,6-trimethylphenyl)ethanamine.

Molecular Properties

Compound NameN-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-(2,4,6-trimethylphenyl)ethanamine
PubChem CID103903840
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameN-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-(2,4,6-trimethylphenyl)ethanamine
SMILESCOCCC1(CNC(C)c2c(C)cc(C)cc2C)CC1
InChIInChI=1S/C18H29NO/c1-13-10-14(2)17(15(3)11-13)16(4)19-12-18(6-7-18)8-9-20-5/h10-11,16,19H,6-9,12H2,1-5H3
InChIKeyZCNCDPSVHHKQJK-UHFFFAOYSA-N
XLogP4.08
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 ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-(2,4,5-trimethylphenyl)ethanamine
CID 103903901
N-(2-methoxyethyl)-1-(2,4,6-trimethylphenyl)ethanamine
CID 43190158
2-[1-[[1-(2-methoxyethyl)cyclopropyl]methylamino]ethyl]-5-methylphenol
CID 104583457
1-(2,5-dimethylthiophen-3-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]ethanamine
CID 113348990
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-(2,4,6-trimethylphenyl)methanamine
CID 103802368
[1-[[1-(2,4,6-trimethylphenyl)ethylamino]methyl]cyclopentyl]methanol
CID 115358873
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-naphthalen-2-ylethanamine
CID 103903949
1-(3-fluorophenyl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]ethanamine
CID 103904006
5-methoxy-2-[1-[[1-(2-methoxyethyl)cyclopropyl]methylamino]ethyl]phenol
CID 104583453
1-(1-benzothiophen-2-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]ethanamine
CID 102613050
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-4-methylpentan-2-amine
CID 115894858
N-[3-[1-[[1-(2-methoxyethyl)cyclopropyl]methylamino]ethyl]phenyl]acetamide
CID 103903900

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-(2,4,6-trimethylphenyl)ethanamine?
The IUPAC name of N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-(2,4,6-trimethylphenyl)ethanamine (CID 103903840) is N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-(2,4,6-trimethylphenyl)ethanamine.
What is the SMILES notation for N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-(2,4,6-trimethylphenyl)ethanamine?
The canonical SMILES for N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-(2,4,6-trimethylphenyl)ethanamine is COCCC1(CNC(C)c2c(C)cc(C)cc2C)CC1.
What is the InChIKey of N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-(2,4,6-trimethylphenyl)ethanamine?
The InChIKey is ZCNCDPSVHHKQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-13-10-14(2)17(15(3)11-13)16(4)19-12-18(6-7-18)8-9-20-5/h10-11,16,19H,6-9,12H2,1-5H3.
What are the key properties of N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-(2,4,6-trimethylphenyl)ethanamine?
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-(2,4,6-trimethylphenyl)ethanamine has a molecular weight of 275.44 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-(2,4,6-trimethylphenyl)ethanamine is sourced from PubChem (CID 103903840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).