1-(4-methoxyphenyl)-4,4-dimethylpentan-3-amine

C14H23NO — CID 64503950

IUPAC1-(4-methoxyphenyl)-4,4-dimethylpentan-3-amine
SMILESCOc1ccc(CCC(N)C(C)(C)C)cc1
InChIInChI=1S/C14H23NO/c1-14(2,3)13(15)10-7-11-5-8-12(16-4)9-6-11/h5-6,8-9,13H,7,10,15H2,1-4H3
InChIKeyNRZAWCYCXIGJNP-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.00
Rot. Bonds4

About 1-(4-methoxyphenyl)-4,4-dimethylpentan-3-amine

1-(4-methoxyphenyl)-4,4-dimethylpentan-3-amine (PubChem CID 64503950) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-4,4-dimethylpentan-3-amine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-4,4-dimethylpentan-3-amine
PubChem CID64503950
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name1-(4-methoxyphenyl)-4,4-dimethylpentan-3-amine
SMILESCOc1ccc(CCC(N)C(C)(C)C)cc1
InChIInChI=1S/C14H23NO/c1-14(2,3)13(15)10-7-11-5-8-12(16-4)9-6-11/h5-6,8-9,13H,7,10,15H2,1-4H3
InChIKeyNRZAWCYCXIGJNP-UHFFFAOYSA-N
XLogP3.00
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethoxy-1-(4-methoxyphenyl)-4-methylhexan-3-amine
CID 116758401
1-(3,4-dimethoxyphenyl)-4,4-dimethylpentan-3-amine
CID 64503243
5-(4-methoxyphenyl)-2-methylpent-1-en-3-amine
CID 105005375
1-(3,4-dimethylpentyl)-4-methoxybenzene
CID 90900770
6-(4-methoxyphenyl)-2-methylhexan-3-amine
CID 83932077
[4-methoxy-1-(4-methoxyphenyl)-5,5-dimethylhexan-3-yl]hydrazine
CID 105273347
methyl (2S)-2-amino-4-(4-methoxyphenyl)butanoate
CID 171935110
(2R)-2-amino-4-(4-methoxyphenyl)butanoic acid
CID 18394844
[6-methoxy-1-(4-methoxyphenyl)-6-methylheptan-3-yl]hydrazine
CID 103026524
1-(4-chloro-3-methoxyphenyl)-4,4-dimethylpentan-3-amine
CID 79700883
3-(4-methoxyphenyl)-1-(4-propylphenyl)propan-1-amine
CID 43099758
1-(4-methoxyphenyl)-5-methylhex-4-en-3-amine
CID 105004731

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-4,4-dimethylpentan-3-amine?
The IUPAC name of 1-(4-methoxyphenyl)-4,4-dimethylpentan-3-amine (CID 64503950) is 1-(4-methoxyphenyl)-4,4-dimethylpentan-3-amine.
What is the SMILES notation for 1-(4-methoxyphenyl)-4,4-dimethylpentan-3-amine?
The canonical SMILES for 1-(4-methoxyphenyl)-4,4-dimethylpentan-3-amine is COc1ccc(CCC(N)C(C)(C)C)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-4,4-dimethylpentan-3-amine?
The InChIKey is NRZAWCYCXIGJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-14(2,3)13(15)10-7-11-5-8-12(16-4)9-6-11/h5-6,8-9,13H,7,10,15H2,1-4H3.
What are the key properties of 1-(4-methoxyphenyl)-4,4-dimethylpentan-3-amine?
1-(4-methoxyphenyl)-4,4-dimethylpentan-3-amine has a molecular weight of 221.34 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-4,4-dimethylpentan-3-amine is sourced from PubChem (CID 64503950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).