6-(2,4-dimethylphenoxy)-N-propylhexan-3-amine

C17H29NO — CID 106800672

IUPAC6-(2,4-dimethylphenoxy)-N-propylhexan-3-amine
SMILESCCCNC(CC)CCCOc1ccc(C)cc1C
InChIInChI=1S/C17H29NO/c1-5-11-18-16(6-2)8-7-12-19-17-10-9-14(3)13-15(17)4/h9-10,13,16,18H,5-8,11-12H2,1-4H3
InChIKeyYVMDJZJXCSOGTA-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.24
Rot. Bonds9

About 6-(2,4-dimethylphenoxy)-N-propylhexan-3-amine

6-(2,4-dimethylphenoxy)-N-propylhexan-3-amine (PubChem CID 106800672) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is 6-(2,4-dimethylphenoxy)-N-propylhexan-3-amine.

Molecular Properties

Compound Name6-(2,4-dimethylphenoxy)-N-propylhexan-3-amine
PubChem CID106800672
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC Name6-(2,4-dimethylphenoxy)-N-propylhexan-3-amine
SMILESCCCNC(CC)CCCOc1ccc(C)cc1C
InChIInChI=1S/C17H29NO/c1-5-11-18-16(6-2)8-7-12-19-17-10-9-14(3)13-15(17)4/h9-10,13,16,18H,5-8,11-12H2,1-4H3
InChIKeyYVMDJZJXCSOGTA-UHFFFAOYSA-N
XLogP4.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.24
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-(2,4-dimethylphenoxy)-N-ethylpropan-1-amine
CID 29015412
4-(2,4-dimethylphenoxy)-N-ethylbutan-1-amine
CID 62452410
5-(2-fluoro-5-methylphenoxy)-N-propylpentan-2-amine
CID 64854811
5-ethoxy-N-propyl-1-(2,4,6-trimethylphenyl)pentan-2-amine
CID 105121210
3-(2,4-dimethylphenoxy)-N-(1-hydroxypentan-3-yl)propanamide
CID 115735175
ethyl 4-(2,4-dimethylphenoxy)-2-(ethylamino)butanoate
CID 63038782
2,4-dimethyl-1-(3-propan-2-ylsulfanylpropoxy)benzene
CID 30842801
3-(2,4-dimethylphenoxy)propan-1-amine
CID 14025831
N-[1-[2-(2-butoxyethoxy)-5-methylphenyl]ethyl]propan-1-amine
CID 61483064
1-(2-methoxy-5-methylphenyl)-N-propyloctan-2-amine
CID 115826522
1-butyl-3-[2-(2,4-dimethylphenoxy)ethyl]urea
CID 112973601
1-(4-methylphenyl)-N-propylpentan-3-amine
CID 60994999

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dimethylphenoxy)-N-propylhexan-3-amine?
The IUPAC name of 6-(2,4-dimethylphenoxy)-N-propylhexan-3-amine (CID 106800672) is 6-(2,4-dimethylphenoxy)-N-propylhexan-3-amine.
What is the SMILES notation for 6-(2,4-dimethylphenoxy)-N-propylhexan-3-amine?
The canonical SMILES for 6-(2,4-dimethylphenoxy)-N-propylhexan-3-amine is CCCNC(CC)CCCOc1ccc(C)cc1C.
What is the InChIKey of 6-(2,4-dimethylphenoxy)-N-propylhexan-3-amine?
The InChIKey is YVMDJZJXCSOGTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-5-11-18-16(6-2)8-7-12-19-17-10-9-14(3)13-15(17)4/h9-10,13,16,18H,5-8,11-12H2,1-4H3.
What are the key properties of 6-(2,4-dimethylphenoxy)-N-propylhexan-3-amine?
6-(2,4-dimethylphenoxy)-N-propylhexan-3-amine has a molecular weight of 263.43 g/mol, XLogP of 4.24, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dimethylphenoxy)-N-propylhexan-3-amine is sourced from PubChem (CID 106800672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).