N,N-dimethyl-4-[4-(2-methylbutan-2-yl)phenoxy]butan-1-amine

C17H29NO — CID 2182203

IUPACN,N-dimethyl-4-[4-(2-methylbutan-2-yl)phenoxy]butan-1-amine
SMILESCCC(C)(C)c1ccc(OCCCCN(C)C)cc1
InChIInChI=1S/C17H29NO/c1-6-17(2,3)15-9-11-16(12-10-15)19-14-8-7-13-18(4)5/h9-12H,6-8,13-14H2,1-5H3
InChIKeyBVXSRPSLBIETJS-UHFFFAOYSA-N
MW263.42 g/mol
LogP4.09
Rot. Bonds8

About N,N-dimethyl-4-[4-(2-methylbutan-2-yl)phenoxy]butan-1-amine

N,N-dimethyl-4-[4-(2-methylbutan-2-yl)phenoxy]butan-1-amine (PubChem CID 2182203) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is N,N-dimethyl-4-[4-(2-methylbutan-2-yl)phenoxy]butan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-4-[4-(2-methylbutan-2-yl)phenoxy]butan-1-amine
PubChem CID2182203
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC NameN,N-dimethyl-4-[4-(2-methylbutan-2-yl)phenoxy]butan-1-amine
SMILESCCC(C)(C)c1ccc(OCCCCN(C)C)cc1
InChIInChI=1S/C17H29NO/c1-6-17(2,3)15-9-11-16(12-10-15)19-14-8-7-13-18(4)5/h9-12H,6-8,13-14H2,1-5H3
InChIKeyBVXSRPSLBIETJS-UHFFFAOYSA-N
XLogP4.09
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 54.09
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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Related Compounds

1-(6-bromohexoxy)-4-(2-methylbutan-2-yl)benzene
CID 154085988
dimethyl-[4-[4-(2-methylbutan-2-yl)phenoxy]butyl]azanium
CID 2182202
5-[4-(2-methylbutan-2-yl)phenoxy]pentanenitrile
CID 60673565
2-(4-tert-butylphenoxy)-N,N-dimethylethanamine
CID 5261951
4-[4-(dimethylamino)butoxy]aniline
CID 11458449
5-[4-(2-methylbutan-2-yl)phenoxy]-N-propan-2-ylpentan-1-amine
CID 63498583
N,N-dimethyl-4-[4-(2-phenylpropan-2-yl)phenoxy]butan-1-amine;oxalic acid
CID 2934373
4-(4-tert-butylphenoxy)-N,N-diethylbutan-1-amine
CID 2058010
3-[4-(2-methylbutan-2-yl)phenoxy]-N-propylpropan-1-amine
CID 29015611
N,N-dimethyl-2-[3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propoxy]ethanamine
CID 177328633
4-[2-[4-(2-methylbutan-2-yl)phenoxy]ethoxy]benzonitrile
CID 20986224
[4-[2-[4-(2-methylbutan-2-yl)phenoxy]ethoxy]phenyl]methanamine
CID 22684437

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[4-(2-methylbutan-2-yl)phenoxy]butan-1-amine?
The IUPAC name of N,N-dimethyl-4-[4-(2-methylbutan-2-yl)phenoxy]butan-1-amine (CID 2182203) is N,N-dimethyl-4-[4-(2-methylbutan-2-yl)phenoxy]butan-1-amine.
What is the SMILES notation for N,N-dimethyl-4-[4-(2-methylbutan-2-yl)phenoxy]butan-1-amine?
The canonical SMILES for N,N-dimethyl-4-[4-(2-methylbutan-2-yl)phenoxy]butan-1-amine is CCC(C)(C)c1ccc(OCCCCN(C)C)cc1.
What is the InChIKey of N,N-dimethyl-4-[4-(2-methylbutan-2-yl)phenoxy]butan-1-amine?
The InChIKey is BVXSRPSLBIETJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-6-17(2,3)15-9-11-16(12-10-15)19-14-8-7-13-18(4)5/h9-12H,6-8,13-14H2,1-5H3.
What are the key properties of N,N-dimethyl-4-[4-(2-methylbutan-2-yl)phenoxy]butan-1-amine?
N,N-dimethyl-4-[4-(2-methylbutan-2-yl)phenoxy]butan-1-amine has a molecular weight of 263.42 g/mol, XLogP of 4.09, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[4-(2-methylbutan-2-yl)phenoxy]butan-1-amine is sourced from PubChem (CID 2182203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).