4-(2-methyl-6-propan-2-yloxyphenyl)butan-1-amine

C14H23NO — CID 117317050

IUPAC4-(2-methyl-6-propan-2-yloxyphenyl)butan-1-amine
SMILESCc1cccc(OC(C)C)c1CCCCN
InChIInChI=1S/C14H23NO/c1-11(2)16-14-9-6-7-12(3)13(14)8-4-5-10-15/h6-7,9,11H,4-5,8,10,15H2,1-3H3
InChIKeyUQLTXUFTCYAUIG-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.06
Rot. Bonds6

About 4-(2-methyl-6-propan-2-yloxyphenyl)butan-1-amine

4-(2-methyl-6-propan-2-yloxyphenyl)butan-1-amine (PubChem CID 117317050) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 4-(2-methyl-6-propan-2-yloxyphenyl)butan-1-amine.

Molecular Properties

Compound Name4-(2-methyl-6-propan-2-yloxyphenyl)butan-1-amine
PubChem CID117317050
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name4-(2-methyl-6-propan-2-yloxyphenyl)butan-1-amine
SMILESCc1cccc(OC(C)C)c1CCCCN
InChIInChI=1S/C14H23NO/c1-11(2)16-14-9-6-7-12(3)13(14)8-4-5-10-15/h6-7,9,11H,4-5,8,10,15H2,1-3H3
InChIKeyUQLTXUFTCYAUIG-UHFFFAOYSA-N
XLogP3.06
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(3,6-dimethyl-2-propan-2-yloxyphenyl)propan-1-amine
CID 82266848
4-(2-propan-2-yloxyphenoxy)butan-1-amine
CID 164512443
2-(3-hydroxypropyl)-3-propan-2-yloxyphenol
CID 117300578
3-(3-methyl-4-propan-2-yloxyphenyl)propan-1-amine
CID 95439952
2-butyl-1-(2-butyl-3-methylphenoxy)-3-methylbenzene
CID 175265756
2-(2-propan-2-yloxyphenyl)ethanamine
CID 22379502
N'-(2-propan-2-yloxyphenyl)butane-1,4-diamine
CID 82114677
2-[5-(2,6-dimethylphenyl)pentyl]-1,3-dimethylbenzene
CID 22921267
2-[2-(2-methoxy-6-methylphenyl)ethyl]propane-1,3-diamine
CID 83923856
(1R)-1-(2-propan-2-yloxyphenyl)butane-1,4-diamine
CID 171211917
5-(4-propan-2-yloxyphenyl)pentan-1-amine
CID 54244328
2-(2-methyl-6-propan-2-yloxyphenyl)propan-2-amine
CID 117296721

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-6-propan-2-yloxyphenyl)butan-1-amine?
The IUPAC name of 4-(2-methyl-6-propan-2-yloxyphenyl)butan-1-amine (CID 117317050) is 4-(2-methyl-6-propan-2-yloxyphenyl)butan-1-amine.
What is the SMILES notation for 4-(2-methyl-6-propan-2-yloxyphenyl)butan-1-amine?
The canonical SMILES for 4-(2-methyl-6-propan-2-yloxyphenyl)butan-1-amine is Cc1cccc(OC(C)C)c1CCCCN.
What is the InChIKey of 4-(2-methyl-6-propan-2-yloxyphenyl)butan-1-amine?
The InChIKey is UQLTXUFTCYAUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-11(2)16-14-9-6-7-12(3)13(14)8-4-5-10-15/h6-7,9,11H,4-5,8,10,15H2,1-3H3.
What are the key properties of 4-(2-methyl-6-propan-2-yloxyphenyl)butan-1-amine?
4-(2-methyl-6-propan-2-yloxyphenyl)butan-1-amine has a molecular weight of 221.34 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-6-propan-2-yloxyphenyl)butan-1-amine is sourced from PubChem (CID 117317050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).