N-[1-(4-ethylphenyl)ethyl]-3-methoxybutan-2-amine

C15H25NO — CID 115705865

IUPACN-[1-(4-ethylphenyl)ethyl]-3-methoxybutan-2-amine
SMILESCCc1ccc(C(C)NC(C)C(C)OC)cc1
InChIInChI=1S/C15H25NO/c1-6-14-7-9-15(10-8-14)12(3)16-11(2)13(4)17-5/h7-13,16H,6H2,1-5H3
InChIKeyGXWBXZRVXPALCC-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.32
Rot. Bonds6

About N-[1-(4-ethylphenyl)ethyl]-3-methoxybutan-2-amine

N-[1-(4-ethylphenyl)ethyl]-3-methoxybutan-2-amine (PubChem CID 115705865) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is N-[1-(4-ethylphenyl)ethyl]-3-methoxybutan-2-amine.

Molecular Properties

Compound NameN-[1-(4-ethylphenyl)ethyl]-3-methoxybutan-2-amine
PubChem CID115705865
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC NameN-[1-(4-ethylphenyl)ethyl]-3-methoxybutan-2-amine
SMILESCCc1ccc(C(C)NC(C)C(C)OC)cc1
InChIInChI=1S/C15H25NO/c1-6-14-7-9-15(10-8-14)12(3)16-11(2)13(4)17-5/h7-13,16H,6H2,1-5H3
InChIKeyGXWBXZRVXPALCC-UHFFFAOYSA-N
XLogP3.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methoxy-N-[1-(4-methoxyphenyl)ethyl]butan-2-amine
CID 113260762
N-[1-(4-ethylphenyl)ethyl]-1-methoxypropan-2-amine
CID 43191926
1-(4-ethylphenyl)-N-methoxyethanamine
CID 82706514
1-(4-ethylphenyl)-N-[(1S)-1-(3-methoxyphenyl)ethyl]ethanamine
CID 81353955
N-[1-(furan-3-yl)ethyl]-3-methoxybutan-2-amine
CID 115894684
1-(dimethoxymethyl)-4-ethylbenzene
CID 20549049
N-[(1S)-1-(4-chlorophenyl)ethyl]-1-(4-ethylphenyl)propan-1-amine
CID 81350091
N-[1-(4-ethylphenyl)ethyl]propan-1-amine
CID 43185208
1-(4-ethylphenyl)-N-[(1R)-1-thiophen-2-ylethyl]ethanamine
CID 81409318
N-[1-(3-bromophenyl)ethyl]-3-methoxybutan-2-amine
CID 115708263
1-(4-ethylphenyl)-N-[(1S)-1-pyridin-4-ylethyl]propan-1-amine
CID 81405582
2-[1-[1-(4-ethylphenyl)ethylamino]ethyl]phenol
CID 43684152

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethylphenyl)ethyl]-3-methoxybutan-2-amine?
The IUPAC name of N-[1-(4-ethylphenyl)ethyl]-3-methoxybutan-2-amine (CID 115705865) is N-[1-(4-ethylphenyl)ethyl]-3-methoxybutan-2-amine.
What is the SMILES notation for N-[1-(4-ethylphenyl)ethyl]-3-methoxybutan-2-amine?
The canonical SMILES for N-[1-(4-ethylphenyl)ethyl]-3-methoxybutan-2-amine is CCc1ccc(C(C)NC(C)C(C)OC)cc1.
What is the InChIKey of N-[1-(4-ethylphenyl)ethyl]-3-methoxybutan-2-amine?
The InChIKey is GXWBXZRVXPALCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-6-14-7-9-15(10-8-14)12(3)16-11(2)13(4)17-5/h7-13,16H,6H2,1-5H3.
What are the key properties of N-[1-(4-ethylphenyl)ethyl]-3-methoxybutan-2-amine?
N-[1-(4-ethylphenyl)ethyl]-3-methoxybutan-2-amine has a molecular weight of 235.37 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethylphenyl)ethyl]-3-methoxybutan-2-amine is sourced from PubChem (CID 115705865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).