1-(4-tert-butylphenyl)-2-cyclopropyl-N-ethyl-2-methoxyethanamine

C18H29NO — CID 116722412

IUPAC1-(4-tert-butylphenyl)-2-cyclopropyl-N-ethyl-2-methoxyethanamine
SMILESCCNC(c1ccc(C(C)(C)C)cc1)C(OC)C1CC1
InChIInChI=1S/C18H29NO/c1-6-19-16(17(20-5)14-7-8-14)13-9-11-15(12-10-13)18(2,3)4/h9-12,14,16-17,19H,6-8H2,1-5H3
InChIKeyNTAXXRKQAZIWOY-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.06
Rot. Bonds6

About 1-(4-tert-butylphenyl)-2-cyclopropyl-N-ethyl-2-methoxyethanamine

1-(4-tert-butylphenyl)-2-cyclopropyl-N-ethyl-2-methoxyethanamine (PubChem CID 116722412) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-2-cyclopropyl-N-ethyl-2-methoxyethanamine.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-2-cyclopropyl-N-ethyl-2-methoxyethanamine
PubChem CID116722412
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name1-(4-tert-butylphenyl)-2-cyclopropyl-N-ethyl-2-methoxyethanamine
SMILESCCNC(c1ccc(C(C)(C)C)cc1)C(OC)C1CC1
InChIInChI=1S/C18H29NO/c1-6-19-16(17(20-5)14-7-8-14)13-9-11-15(12-10-13)18(2,3)4/h9-12,14,16-17,19H,6-8H2,1-5H3
InChIKeyNTAXXRKQAZIWOY-UHFFFAOYSA-N
XLogP4.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-N-ethyl-2-methoxy-1-thiophen-3-ylethanamine
CID 116722511
1-(4-tert-butylphenyl)-N-ethyl-2,2-dimethoxyethanamine
CID 79492955
1-(4-tert-butylphenyl)-N-ethyl-2-methoxypropan-1-amine
CID 79616230
2-cyclopropyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethyl-2-methoxyethanamine
CID 116722579
N-[2-cyclopropyl-2-methoxy-1-(4-propan-2-ylphenyl)ethyl]propan-1-amine
CID 116722720
N-[1-(4-chlorophenyl)-2-cyclopropyl-2-methoxyethyl]propan-1-amine
CID 116722802
2-cyclohexyl-1-(3,4-dimethylphenyl)-N-ethyl-2-methoxyethanamine
CID 116771781
2-cyclopropyl-2-ethoxy-N-ethyl-1-(4-ethylphenyl)ethanamine
CID 116723659
2-cyclopropyl-N-ethyl-2-methoxy-1-[3-(2-methylpropyl)phenyl]ethanamine
CID 116722482
[2-cyclopropyl-2-methoxy-1-(4-propylphenyl)ethyl]hydrazine
CID 105272652
2-cyclopropyl-N-ethyl-2-methoxy-1-quinolin-3-ylethanamine
CID 116722411
1-(4-tert-butylphenyl)-N-ethyl-4-methoxy-2-methylbutan-1-amine
CID 105044758

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-2-cyclopropyl-N-ethyl-2-methoxyethanamine?
The IUPAC name of 1-(4-tert-butylphenyl)-2-cyclopropyl-N-ethyl-2-methoxyethanamine (CID 116722412) is 1-(4-tert-butylphenyl)-2-cyclopropyl-N-ethyl-2-methoxyethanamine.
What is the SMILES notation for 1-(4-tert-butylphenyl)-2-cyclopropyl-N-ethyl-2-methoxyethanamine?
The canonical SMILES for 1-(4-tert-butylphenyl)-2-cyclopropyl-N-ethyl-2-methoxyethanamine is CCNC(c1ccc(C(C)(C)C)cc1)C(OC)C1CC1.
What is the InChIKey of 1-(4-tert-butylphenyl)-2-cyclopropyl-N-ethyl-2-methoxyethanamine?
The InChIKey is NTAXXRKQAZIWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-6-19-16(17(20-5)14-7-8-14)13-9-11-15(12-10-13)18(2,3)4/h9-12,14,16-17,19H,6-8H2,1-5H3.
What are the key properties of 1-(4-tert-butylphenyl)-2-cyclopropyl-N-ethyl-2-methoxyethanamine?
1-(4-tert-butylphenyl)-2-cyclopropyl-N-ethyl-2-methoxyethanamine has a molecular weight of 275.44 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-2-cyclopropyl-N-ethyl-2-methoxyethanamine is sourced from PubChem (CID 116722412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).