N-[1-(4-tert-butylphenyl)ethyl]-1-methoxypropan-2-amine

C16H27NO — CID 43191865

IUPACN-[1-(4-tert-butylphenyl)ethyl]-1-methoxypropan-2-amine
SMILESCOCC(C)NC(C)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H27NO/c1-12(11-18-6)17-13(2)14-7-9-15(10-8-14)16(3,4)5/h7-10,12-13,17H,11H2,1-6H3
InChIKeyHHDIPZOKGAALCW-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.67
Rot. Bonds5

About N-[1-(4-tert-butylphenyl)ethyl]-1-methoxypropan-2-amine

N-[1-(4-tert-butylphenyl)ethyl]-1-methoxypropan-2-amine (PubChem CID 43191865) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is N-[1-(4-tert-butylphenyl)ethyl]-1-methoxypropan-2-amine.

Molecular Properties

Compound NameN-[1-(4-tert-butylphenyl)ethyl]-1-methoxypropan-2-amine
PubChem CID43191865
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC NameN-[1-(4-tert-butylphenyl)ethyl]-1-methoxypropan-2-amine
SMILESCOCC(C)NC(C)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H27NO/c1-12(11-18-6)17-13(2)14-7-9-15(10-8-14)16(3,4)5/h7-10,12-13,17H,11H2,1-6H3
InChIKeyHHDIPZOKGAALCW-UHFFFAOYSA-N
XLogP3.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-ethylphenyl)ethyl]-1-methoxypropan-2-amine
CID 43191926
N-[(1R)-1-(3,4-dichlorophenyl)ethyl]-1-methoxypropan-2-amine
CID 103711036
N-[1-(3,4-dichlorophenyl)ethyl]-1-methoxypropan-2-amine
CID 43191934
4-[1-(1-methoxypropan-2-ylamino)ethyl]benzenesulfonamide
CID 43758356
1-methoxy-N-(1-naphthalen-2-ylethyl)propan-2-amine
CID 43191837
N-[1-(4-fluoro-3-methylphenyl)ethyl]-1-methoxypropan-2-amine
CID 115683511
N-[1-(4-tert-butylphenyl)ethyl]-1-methylsulfinylpropan-2-amine
CID 104537779
3-[1-(4-tert-butylphenyl)ethylamino]butanamide
CID 115676438
1-methoxy-N-[1-(3-methoxyphenyl)ethyl]propan-2-amine
CID 43191851
N-[(1R)-1-(3-chlorophenyl)ethyl]-1-methoxypropan-2-amine
CID 81366148
methyl 2-[1-(4-tert-butylphenyl)ethylamino]butanoate
CID 115320207
1-methoxy-N-[1-(4-methyl-3-nitrophenyl)ethyl]propan-2-amine
CID 43200931

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-tert-butylphenyl)ethyl]-1-methoxypropan-2-amine?
The IUPAC name of N-[1-(4-tert-butylphenyl)ethyl]-1-methoxypropan-2-amine (CID 43191865) is N-[1-(4-tert-butylphenyl)ethyl]-1-methoxypropan-2-amine.
What is the SMILES notation for N-[1-(4-tert-butylphenyl)ethyl]-1-methoxypropan-2-amine?
The canonical SMILES for N-[1-(4-tert-butylphenyl)ethyl]-1-methoxypropan-2-amine is COCC(C)NC(C)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-[1-(4-tert-butylphenyl)ethyl]-1-methoxypropan-2-amine?
The InChIKey is HHDIPZOKGAALCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-12(11-18-6)17-13(2)14-7-9-15(10-8-14)16(3,4)5/h7-10,12-13,17H,11H2,1-6H3.
What are the key properties of N-[1-(4-tert-butylphenyl)ethyl]-1-methoxypropan-2-amine?
N-[1-(4-tert-butylphenyl)ethyl]-1-methoxypropan-2-amine has a molecular weight of 249.40 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-tert-butylphenyl)ethyl]-1-methoxypropan-2-amine is sourced from PubChem (CID 43191865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).