N-[1-(2-tert-butylphenyl)-2-cyclopropylethyl]propan-1-amine

C18H29N — CID 104986526

IUPACN-[1-(2-tert-butylphenyl)-2-cyclopropylethyl]propan-1-amine
SMILESCCCNC(CC1CC1)c1ccccc1C(C)(C)C
InChIInChI=1S/C18H29N/c1-5-12-19-17(13-14-10-11-14)15-8-6-7-9-16(15)18(2,3)4/h6-9,14,17,19H,5,10-13H2,1-4H3
InChIKeyRCKHMHAOZDIBAT-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.82
Rot. Bonds6

About N-[1-(2-tert-butylphenyl)-2-cyclopropylethyl]propan-1-amine

N-[1-(2-tert-butylphenyl)-2-cyclopropylethyl]propan-1-amine (PubChem CID 104986526) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is N-[1-(2-tert-butylphenyl)-2-cyclopropylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(2-tert-butylphenyl)-2-cyclopropylethyl]propan-1-amine
PubChem CID104986526
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC NameN-[1-(2-tert-butylphenyl)-2-cyclopropylethyl]propan-1-amine
SMILESCCCNC(CC1CC1)c1ccccc1C(C)(C)C
InChIInChI=1S/C18H29N/c1-5-12-19-17(13-14-10-11-14)15-8-6-7-9-16(15)18(2,3)4/h6-9,14,17,19H,5,10-13H2,1-4H3
InChIKeyRCKHMHAOZDIBAT-UHFFFAOYSA-N
XLogP4.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-tert-butylphenyl)-N-propylpentan-1-amine
CID 115832932
N-[1-(2-cyclobutylphenyl)-2-cyclopropylethyl]propan-1-amine
CID 114604144
3-cyclopropyl-N-propyl-1-[2-(trifluoromethyl)phenyl]propan-1-amine
CID 104994854
N-[2-cyclopentyl-1-(2-methylphenyl)ethyl]propan-1-amine
CID 63413342
1-(2-tert-butylphenyl)-3-methyl-N-propylbut-3-en-1-amine
CID 105004229
N-[2-cyclohexyl-1-(2-fluorophenyl)ethyl]propan-1-amine
CID 55186438
1-(2-tert-butylphenyl)-2-cyclopropylethanol
CID 115804027
N-[1-(3-bromo-2-methylphenyl)-2-cyclobutylethyl]propan-1-amine
CID 115863525
N-[1-(2-methoxyphenyl)-2-(oxan-4-yl)ethyl]propan-1-amine
CID 62608474
N-[2-cyclopentyl-1-(2-fluoro-3-methylphenyl)ethyl]propan-1-amine
CID 115847405
N-[2-cyclopentyl-1-[2-(difluoromethoxy)phenyl]ethyl]propan-1-amine
CID 115847444
N-[1-(3-bromo-2-fluorophenyl)-2-cycloheptylethyl]propan-1-amine
CID 106647563

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-tert-butylphenyl)-2-cyclopropylethyl]propan-1-amine?
The IUPAC name of N-[1-(2-tert-butylphenyl)-2-cyclopropylethyl]propan-1-amine (CID 104986526) is N-[1-(2-tert-butylphenyl)-2-cyclopropylethyl]propan-1-amine.
What is the SMILES notation for N-[1-(2-tert-butylphenyl)-2-cyclopropylethyl]propan-1-amine?
The canonical SMILES for N-[1-(2-tert-butylphenyl)-2-cyclopropylethyl]propan-1-amine is CCCNC(CC1CC1)c1ccccc1C(C)(C)C.
What is the InChIKey of N-[1-(2-tert-butylphenyl)-2-cyclopropylethyl]propan-1-amine?
The InChIKey is RCKHMHAOZDIBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-5-12-19-17(13-14-10-11-14)15-8-6-7-9-16(15)18(2,3)4/h6-9,14,17,19H,5,10-13H2,1-4H3.
What are the key properties of N-[1-(2-tert-butylphenyl)-2-cyclopropylethyl]propan-1-amine?
N-[1-(2-tert-butylphenyl)-2-cyclopropylethyl]propan-1-amine has a molecular weight of 259.44 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-tert-butylphenyl)-2-cyclopropylethyl]propan-1-amine is sourced from PubChem (CID 104986526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).