N-[(2,5-dimethoxyphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine

C18H29NO2 — CID 66478019

IUPACN-[(2,5-dimethoxyphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
SMILESCCNC(c1cc(OC)ccc1OC)C1C(C)(C)C1(C)C
InChIInChI=1S/C18H29NO2/c1-8-19-15(16-17(2,3)18(16,4)5)13-11-12(20-6)9-10-14(13)21-7/h9-11,15-16,19H,8H2,1-7H3
InChIKeyRUGPCXPJXQYFMV-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.04
Rot. Bonds6

About N-[(2,5-dimethoxyphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine

N-[(2,5-dimethoxyphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine (PubChem CID 66478019) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is N-[(2,5-dimethoxyphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,5-dimethoxyphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
PubChem CID66478019
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC NameN-[(2,5-dimethoxyphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
SMILESCCNC(c1cc(OC)ccc1OC)C1C(C)(C)C1(C)C
InChIInChI=1S/C18H29NO2/c1-8-19-15(16-17(2,3)18(16,4)5)13-11-12(20-6)9-10-14(13)21-7/h9-11,15-16,19H,8H2,1-7H3
InChIKeyRUGPCXPJXQYFMV-UHFFFAOYSA-N
XLogP4.04
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[cyclopentyl-(2,5-dimethoxyphenyl)methyl]ethanamine
CID 43489527
1-(2,5-dimethoxyphenyl)-N-ethylpropan-1-amine
CID 43489494
N-[(5-fluoro-2-methoxyphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]propan-1-amine
CID 66476113
N-[(2,5-dimethoxyphenyl)-(1,4-dithian-2-yl)methyl]ethanamine
CID 79966705
N-[(3-chloro-4-methoxyphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
CID 66477445
1-(2,5-dimethoxyphenyl)-N-ethyl-2-methylpropan-1-amine
CID 43489495
N-[(2-ethoxyphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
CID 115853735
N-[(2,5-dimethoxyphenyl)-(1,4-oxathian-2-yl)methyl]ethanamine
CID 79963651
1-(2,5-dimethoxyphenyl)-N-ethyl-2-methoxybutan-1-amine
CID 116715821
N-[(2,5-dimethoxyphenyl)-(1-methoxycyclobutyl)methyl]ethanamine
CID 116714651
[(2-methoxy-5-methylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]hydrazine
CID 105303576
1-(5-bromo-2-methoxyphenyl)-N-methyl-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 66475724

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethoxyphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine?
The IUPAC name of N-[(2,5-dimethoxyphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine (CID 66478019) is N-[(2,5-dimethoxyphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine.
What is the SMILES notation for N-[(2,5-dimethoxyphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine?
The canonical SMILES for N-[(2,5-dimethoxyphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine is CCNC(c1cc(OC)ccc1OC)C1C(C)(C)C1(C)C.
What is the InChIKey of N-[(2,5-dimethoxyphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine?
The InChIKey is RUGPCXPJXQYFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-8-19-15(16-17(2,3)18(16,4)5)13-11-12(20-6)9-10-14(13)21-7/h9-11,15-16,19H,8H2,1-7H3.
What are the key properties of N-[(2,5-dimethoxyphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine?
N-[(2,5-dimethoxyphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine has a molecular weight of 291.44 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethoxyphenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine is sourced from PubChem (CID 66478019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).