1-(4-butan-2-ylphenyl)-2-cyclopropyl-N-ethylpropan-1-amine

C18H29N — CID 83153900

IUPAC1-(4-butan-2-ylphenyl)-2-cyclopropyl-N-ethylpropan-1-amine
SMILESCCNC(c1ccc(C(C)CC)cc1)C(C)C1CC1
InChIInChI=1S/C18H29N/c1-5-13(3)15-7-11-17(12-8-15)18(19-6-2)14(4)16-9-10-16/h7-8,11-14,16,18-19H,5-6,9-10H2,1-4H3
InChIKeyRCEUDVFAMFHIOT-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.90
Rot. Bonds7

About 1-(4-butan-2-ylphenyl)-2-cyclopropyl-N-ethylpropan-1-amine

1-(4-butan-2-ylphenyl)-2-cyclopropyl-N-ethylpropan-1-amine (PubChem CID 83153900) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is 1-(4-butan-2-ylphenyl)-2-cyclopropyl-N-ethylpropan-1-amine.

Molecular Properties

Compound Name1-(4-butan-2-ylphenyl)-2-cyclopropyl-N-ethylpropan-1-amine
PubChem CID83153900
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name1-(4-butan-2-ylphenyl)-2-cyclopropyl-N-ethylpropan-1-amine
SMILESCCNC(c1ccc(C(C)CC)cc1)C(C)C1CC1
InChIInChI=1S/C18H29N/c1-5-13(3)15-7-11-17(12-8-15)18(19-6-2)14(4)16-9-10-16/h7-8,11-14,16,18-19H,5-6,9-10H2,1-4H3
InChIKeyRCEUDVFAMFHIOT-UHFFFAOYSA-N
XLogP4.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-cyclopropyl-N-ethyl-1-(4-methylphenyl)propan-1-amine
CID 83154579
1-(3-bromo-4-fluorophenyl)-2-cyclopropyl-N-ethylpropan-1-amine
CID 83155186
1-(4-butan-2-ylphenyl)-N-ethyl-2-methylpentan-1-amine
CID 43490297
2-cyclopropyl-1-(4-fluorophenyl)-N-propylpropan-1-amine
CID 83155270
2-cyclopropyl-N-ethyl-1-(6-methoxynaphthalen-2-yl)propan-1-amine
CID 83149804
6-[2-cyclopropyl-1-(ethylamino)propyl]-1,4-dihydroquinoxaline-2,3-dione
CID 83149783
1-(4-butan-2-ylphenyl)-2-cyclobutyl-N-ethylethanamine
CID 103162893
1-(4-chlorophenyl)-2-cyclopropyl-N-propylpropan-1-amine
CID 83155271
2-cyclopropyl-N-ethyl-1-(5-methyl-3-pyridinyl)propan-1-amine
CID 105022949
2-cyclopropyl-N-ethyl-1-(3-fluoro-5-methylphenyl)propan-1-amine
CID 105016424
4-butan-2-yl-N-(dicyclopropylmethyl)aniline
CID 43681135
2-cyclopropyl-N-ethyl-1-(3-methylthiophen-2-yl)propan-1-amine
CID 83153909

Frequently Asked Questions

What is the IUPAC name of 1-(4-butan-2-ylphenyl)-2-cyclopropyl-N-ethylpropan-1-amine?
The IUPAC name of 1-(4-butan-2-ylphenyl)-2-cyclopropyl-N-ethylpropan-1-amine (CID 83153900) is 1-(4-butan-2-ylphenyl)-2-cyclopropyl-N-ethylpropan-1-amine.
What is the SMILES notation for 1-(4-butan-2-ylphenyl)-2-cyclopropyl-N-ethylpropan-1-amine?
The canonical SMILES for 1-(4-butan-2-ylphenyl)-2-cyclopropyl-N-ethylpropan-1-amine is CCNC(c1ccc(C(C)CC)cc1)C(C)C1CC1.
What is the InChIKey of 1-(4-butan-2-ylphenyl)-2-cyclopropyl-N-ethylpropan-1-amine?
The InChIKey is RCEUDVFAMFHIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-5-13(3)15-7-11-17(12-8-15)18(19-6-2)14(4)16-9-10-16/h7-8,11-14,16,18-19H,5-6,9-10H2,1-4H3.
What are the key properties of 1-(4-butan-2-ylphenyl)-2-cyclopropyl-N-ethylpropan-1-amine?
1-(4-butan-2-ylphenyl)-2-cyclopropyl-N-ethylpropan-1-amine has a molecular weight of 259.44 g/mol, XLogP of 4.90, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butan-2-ylphenyl)-2-cyclopropyl-N-ethylpropan-1-amine is sourced from PubChem (CID 83153900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).