N,N-dimethyl-4-(5-methyl-2-propan-2-ylphenoxy)butan-1-amine

C16H27NO — CID 2181897

IUPACN,N-dimethyl-4-(5-methyl-2-propan-2-ylphenoxy)butan-1-amine
SMILESCc1ccc(C(C)C)c(OCCCCN(C)C)c1
InChIInChI=1S/C16H27NO/c1-13(2)15-9-8-14(3)12-16(15)18-11-7-6-10-17(4)5/h8-9,12-13H,6-7,10-11H2,1-5H3
InChIKeyBYPOQKCKEYOOLE-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.84
Rot. Bonds7

About N,N-dimethyl-4-(5-methyl-2-propan-2-ylphenoxy)butan-1-amine

N,N-dimethyl-4-(5-methyl-2-propan-2-ylphenoxy)butan-1-amine (PubChem CID 2181897) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is N,N-dimethyl-4-(5-methyl-2-propan-2-ylphenoxy)butan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-4-(5-methyl-2-propan-2-ylphenoxy)butan-1-amine
PubChem CID2181897
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC NameN,N-dimethyl-4-(5-methyl-2-propan-2-ylphenoxy)butan-1-amine
SMILESCc1ccc(C(C)C)c(OCCCCN(C)C)c1
InChIInChI=1S/C16H27NO/c1-13(2)15-9-8-14(3)12-16(15)18-11-7-6-10-17(4)5/h8-9,12-13H,6-7,10-11H2,1-5H3
InChIKeyBYPOQKCKEYOOLE-UHFFFAOYSA-N
XLogP3.84
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(5-methyl-2-propan-2-ylphenoxy)butan-1-amine?
The IUPAC name of N,N-dimethyl-4-(5-methyl-2-propan-2-ylphenoxy)butan-1-amine (CID 2181897) is N,N-dimethyl-4-(5-methyl-2-propan-2-ylphenoxy)butan-1-amine.
What is the SMILES notation for N,N-dimethyl-4-(5-methyl-2-propan-2-ylphenoxy)butan-1-amine?
The canonical SMILES for N,N-dimethyl-4-(5-methyl-2-propan-2-ylphenoxy)butan-1-amine is Cc1ccc(C(C)C)c(OCCCCN(C)C)c1.
What is the InChIKey of N,N-dimethyl-4-(5-methyl-2-propan-2-ylphenoxy)butan-1-amine?
The InChIKey is BYPOQKCKEYOOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-13(2)15-9-8-14(3)12-16(15)18-11-7-6-10-17(4)5/h8-9,12-13H,6-7,10-11H2,1-5H3.
What are the key properties of N,N-dimethyl-4-(5-methyl-2-propan-2-ylphenoxy)butan-1-amine?
N,N-dimethyl-4-(5-methyl-2-propan-2-ylphenoxy)butan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 3.84, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(5-methyl-2-propan-2-ylphenoxy)butan-1-amine is sourced from PubChem (CID 2181897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).