N,4-diethyl-1-(3-methylphenoxy)hexan-3-amine

C17H29NO — CID 105168560

IUPACN,4-diethyl-1-(3-methylphenoxy)hexan-3-amine
SMILESCCNC(CCOc1cccc(C)c1)C(CC)CC
InChIInChI=1S/C17H29NO/c1-5-15(6-2)17(18-7-3)11-12-19-16-10-8-9-14(4)13-16/h8-10,13,15,17-18H,5-7,11-12H2,1-4H3
InChIKeyALBSNXWNCZBHMD-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.18
Rot. Bonds9

About N,4-diethyl-1-(3-methylphenoxy)hexan-3-amine

N,4-diethyl-1-(3-methylphenoxy)hexan-3-amine (PubChem CID 105168560) has the molecular formula C17H29NO and a molecular weight of 263.43 g/mol. Its IUPAC name is N,4-diethyl-1-(3-methylphenoxy)hexan-3-amine.

Molecular Properties

Compound NameN,4-diethyl-1-(3-methylphenoxy)hexan-3-amine
PubChem CID105168560
Molecular FormulaC17H29NO
Molecular Weight263.43 g/mol
Exact Mass263.22
IUPAC NameN,4-diethyl-1-(3-methylphenoxy)hexan-3-amine
SMILESCCNC(CCOc1cccc(C)c1)C(CC)CC
InChIInChI=1S/C17H29NO/c1-5-15(6-2)17(18-7-3)11-12-19-16-10-8-9-14(4)13-16/h8-10,13,15,17-18H,5-7,11-12H2,1-4H3
InChIKeyALBSNXWNCZBHMD-UHFFFAOYSA-N
XLogP4.18
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 ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-1-(3-methylphenoxy)hexan-3-amine
CID 105168458
ethyl 2-(ethylamino)-4-(3-methylphenoxy)butanoate
CID 63041210
4-methyl-1-(3-methylphenoxy)-N-propylheptan-3-amine
CID 107893363
2-methyl-N-[2-(3-methylphenoxy)ethyl]pentan-3-amine
CID 55013093
6-methoxy-4-methyl-1-(3-methylphenoxy)-N-propylhexan-3-amine
CID 105185190
4-methyl-1-(3-methylphenoxy)hexan-3-amine
CID 105170434
N-ethyl-1-(furan-2-yl)-4-(3-methylphenoxy)butan-2-amine
CID 105177397
1-(4-bromothiophen-3-yl)-N-ethyl-3-(3-methylphenoxy)propan-1-amine
CID 105166777
1-methyl-3-[4-(3-methylphenoxy)butoxy]benzene
CID 2237989
5-(3-bromophenoxy)-N,3-diethylpentan-2-amine
CID 54971361
1-methyl-3-[6-(3-methylphenoxy)hexoxy]benzene
CID 2304788
N-[(3-methylphenyl)-(3-propoxyphenyl)methyl]ethanamine
CID 115790073

Frequently Asked Questions

What is the IUPAC name of N,4-diethyl-1-(3-methylphenoxy)hexan-3-amine?
The IUPAC name of N,4-diethyl-1-(3-methylphenoxy)hexan-3-amine (CID 105168560) is N,4-diethyl-1-(3-methylphenoxy)hexan-3-amine.
What is the SMILES notation for N,4-diethyl-1-(3-methylphenoxy)hexan-3-amine?
The canonical SMILES for N,4-diethyl-1-(3-methylphenoxy)hexan-3-amine is CCNC(CCOc1cccc(C)c1)C(CC)CC.
What is the InChIKey of N,4-diethyl-1-(3-methylphenoxy)hexan-3-amine?
The InChIKey is ALBSNXWNCZBHMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-5-15(6-2)17(18-7-3)11-12-19-16-10-8-9-14(4)13-16/h8-10,13,15,17-18H,5-7,11-12H2,1-4H3.
What are the key properties of N,4-diethyl-1-(3-methylphenoxy)hexan-3-amine?
N,4-diethyl-1-(3-methylphenoxy)hexan-3-amine has a molecular weight of 263.43 g/mol, XLogP of 4.18, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-diethyl-1-(3-methylphenoxy)hexan-3-amine is sourced from PubChem (CID 105168560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).