1-(4-ethylphenyl)-4-methoxy-4-methylpentan-2-amine

C15H25NO — CID 103024928

IUPAC1-(4-ethylphenyl)-4-methoxy-4-methylpentan-2-amine
SMILESCCc1ccc(CC(N)CC(C)(C)OC)cc1
InChIInChI=1S/C15H25NO/c1-5-12-6-8-13(9-7-12)10-14(16)11-15(2,3)17-4/h6-9,14H,5,10-11,16H2,1-4H3
InChIKeyAFQSLPNUSWLQAC-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.93
Rot. Bonds6

About 1-(4-ethylphenyl)-4-methoxy-4-methylpentan-2-amine

1-(4-ethylphenyl)-4-methoxy-4-methylpentan-2-amine (PubChem CID 103024928) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-4-methoxy-4-methylpentan-2-amine.

Molecular Properties

Compound Name1-(4-ethylphenyl)-4-methoxy-4-methylpentan-2-amine
PubChem CID103024928
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name1-(4-ethylphenyl)-4-methoxy-4-methylpentan-2-amine
SMILESCCc1ccc(CC(N)CC(C)(C)OC)cc1
InChIInChI=1S/C15H25NO/c1-5-12-6-8-13(9-7-12)10-14(16)11-15(2,3)17-4/h6-9,14H,5,10-11,16H2,1-4H3
InChIKeyAFQSLPNUSWLQAC-UHFFFAOYSA-N
XLogP2.93
TPSA35.25 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 ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-tert-butylphenyl)-4-methoxy-4-methylpentan-2-amine
CID 103025092
1-(3,5-difluorophenyl)-4-methoxy-4-methylpentan-2-amine
CID 103029524
3-(4-ethylphenyl)propane-1,2-diamine
CID 151041648
1-(4-ethylphenyl)-3-propan-2-yloxypropan-2-amine
CID 105101467
1-(4-ethylphenyl)-4-(4-methoxyphenyl)butan-2-amine
CID 115803356
1-(4-fluorophenyl)-4,4-dimethylpentan-2-amine
CID 61079242
4-[(2R)-2-amino-4,4-dimethylpentyl]phenol
CID 96616484
1-(4-ethylphenyl)undecan-2-amine
CID 115803351
1-(4-ethylphenyl)-3-methoxypentan-2-amine
CID 116715207
N-[(4-ethylphenyl)methyl]-3-methoxy-3-methylbutan-1-amine
CID 106899543
(2S)-2-amino-3-(4-ethylphenyl)propanoic acid
CID 13406785
1-(3-chloro-4-pyridinyl)-4-methoxy-4-methylpentan-2-amine
CID 103027370

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-4-methoxy-4-methylpentan-2-amine?
The IUPAC name of 1-(4-ethylphenyl)-4-methoxy-4-methylpentan-2-amine (CID 103024928) is 1-(4-ethylphenyl)-4-methoxy-4-methylpentan-2-amine.
What is the SMILES notation for 1-(4-ethylphenyl)-4-methoxy-4-methylpentan-2-amine?
The canonical SMILES for 1-(4-ethylphenyl)-4-methoxy-4-methylpentan-2-amine is CCc1ccc(CC(N)CC(C)(C)OC)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-4-methoxy-4-methylpentan-2-amine?
The InChIKey is AFQSLPNUSWLQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-5-12-6-8-13(9-7-12)10-14(16)11-15(2,3)17-4/h6-9,14H,5,10-11,16H2,1-4H3.
What are the key properties of 1-(4-ethylphenyl)-4-methoxy-4-methylpentan-2-amine?
1-(4-ethylphenyl)-4-methoxy-4-methylpentan-2-amine has a molecular weight of 235.37 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-4-methoxy-4-methylpentan-2-amine is sourced from PubChem (CID 103024928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).