N-methyl-4-(3,4,5-trimethoxyphenyl)hexan-3-amine

C16H27NO3 — CID 22163988

IUPACN-methyl-4-(3,4,5-trimethoxyphenyl)hexan-3-amine
SMILESCCC(NC)C(CC)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C16H27NO3/c1-7-12(13(8-2)17-3)11-9-14(18-4)16(20-6)15(10-11)19-5/h9-10,12-13,17H,7-8H2,1-6H3
InChIKeyDTFHWABZBVEHTN-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.20
Rot. Bonds8

About N-methyl-4-(3,4,5-trimethoxyphenyl)hexan-3-amine

N-methyl-4-(3,4,5-trimethoxyphenyl)hexan-3-amine (PubChem CID 22163988) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-methyl-4-(3,4,5-trimethoxyphenyl)hexan-3-amine.

Molecular Properties

Compound NameN-methyl-4-(3,4,5-trimethoxyphenyl)hexan-3-amine
PubChem CID22163988
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC NameN-methyl-4-(3,4,5-trimethoxyphenyl)hexan-3-amine
SMILESCCC(NC)C(CC)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C16H27NO3/c1-7-12(13(8-2)17-3)11-9-14(18-4)16(20-6)15(10-11)19-5/h9-10,12-13,17H,7-8H2,1-6H3
InChIKeyDTFHWABZBVEHTN-UHFFFAOYSA-N
XLogP3.20
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N'-dimethyl-1-(3,4,5-trimethoxyphenyl)methanediamine
CID 116954412
3-ethyl-N-methyl-1-(3,4,5-trimethoxyphenyl)pentan-1-amine
CID 105028365
3,4,5-trimethoxy-N-(2-methylpentan-3-yl)aniline
CID 43758510
N,N',N'-trimethyl-1-(3,4,5-trimethoxyphenyl)methanediamine
CID 116909317
N,N'-dimethyl-1-(3,4,5-trimethoxyphenyl)propane-1,3-diamine
CID 116948624
2-(methylamino)-1-(3,4,5-trimethoxyphenyl)propan-1-ol
CID 112514738
N-methyl-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-amine
CID 105001000
4-amino-3-(3,4,5-trimethoxyphenyl)hexan-1-ol
CID 66091719
4-(4-fluorophenyl)-N-methylhexan-3-amine
CID 79307068
N,2-diethyl-1-(3,4,5-trimethoxyphenyl)butan-1-amine
CID 105013814
N-ethoxy-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 82710078
1-(3-chloro-4,5-dimethoxyphenyl)-2-ethoxy-N-methylethanamine
CID 79575404

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(3,4,5-trimethoxyphenyl)hexan-3-amine?
The IUPAC name of N-methyl-4-(3,4,5-trimethoxyphenyl)hexan-3-amine (CID 22163988) is N-methyl-4-(3,4,5-trimethoxyphenyl)hexan-3-amine.
What is the SMILES notation for N-methyl-4-(3,4,5-trimethoxyphenyl)hexan-3-amine?
The canonical SMILES for N-methyl-4-(3,4,5-trimethoxyphenyl)hexan-3-amine is CCC(NC)C(CC)c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of N-methyl-4-(3,4,5-trimethoxyphenyl)hexan-3-amine?
The InChIKey is DTFHWABZBVEHTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-7-12(13(8-2)17-3)11-9-14(18-4)16(20-6)15(10-11)19-5/h9-10,12-13,17H,7-8H2,1-6H3.
What are the key properties of N-methyl-4-(3,4,5-trimethoxyphenyl)hexan-3-amine?
N-methyl-4-(3,4,5-trimethoxyphenyl)hexan-3-amine has a molecular weight of 281.40 g/mol, XLogP of 3.20, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(3,4,5-trimethoxyphenyl)hexan-3-amine is sourced from PubChem (CID 22163988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).