N,3-dimethyl-1-(2,4,6-trimethoxyphenyl)pentan-1-amine

C16H27NO3 — CID 114874234

IUPACN,3-dimethyl-1-(2,4,6-trimethoxyphenyl)pentan-1-amine
SMILESCCC(C)CC(NC)c1c(OC)cc(OC)cc1OC
InChIInChI=1S/C16H27NO3/c1-7-11(2)8-13(17-3)16-14(19-5)9-12(18-4)10-15(16)20-6/h9-11,13,17H,7-8H2,1-6H3
InChIKeyMVACPLVHQGGRTF-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.41
Rot. Bonds8

About N,3-dimethyl-1-(2,4,6-trimethoxyphenyl)pentan-1-amine

N,3-dimethyl-1-(2,4,6-trimethoxyphenyl)pentan-1-amine (PubChem CID 114874234) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is N,3-dimethyl-1-(2,4,6-trimethoxyphenyl)pentan-1-amine.

Molecular Properties

Compound NameN,3-dimethyl-1-(2,4,6-trimethoxyphenyl)pentan-1-amine
PubChem CID114874234
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC NameN,3-dimethyl-1-(2,4,6-trimethoxyphenyl)pentan-1-amine
SMILESCCC(C)CC(NC)c1c(OC)cc(OC)cc1OC
InChIInChI=1S/C16H27NO3/c1-7-11(2)8-13(17-3)16-14(19-5)9-12(18-4)10-15(16)20-6/h9-11,13,17H,7-8H2,1-6H3
InChIKeyMVACPLVHQGGRTF-UHFFFAOYSA-N
XLogP3.41
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 ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-dimethoxy-6-methylphenyl)-1-N-methylbutane-1,3-diamine
CID 116948929
N,N'-dimethyl-1-(2,4,6-trimethoxyphenyl)propane-1,3-diamine
CID 116948588
N-methyl-1-(2,4,6-trimethoxyphenyl)ethanamine
CID 43483000
1-(4-bromo-2,5-dimethoxyphenyl)-N,3-dimethylpentan-1-amine
CID 105056702
2-chloro-1-(2,4-dimethoxy-6-methylphenyl)-N-methylethanamine
CID 116952676
1-(3-methoxythiophen-2-yl)-N,3-dimethylpentan-1-amine
CID 115846200
1-(2,4-dimethoxy-6-methylphenyl)-1-N-methylpentane-1,4-diamine
CID 116949911
2-(1-bromopropyl)-1,3,5-trimethoxybenzene
CID 61098697
2-(1-chloropropan-2-yl)-1,3,5-trimethoxybenzene
CID 168916552
N-ethyl-2-methyl-1-(2,4,6-trimethoxyphenyl)butan-1-amine
CID 43490262
methylamino-(2,4,6-trimethoxyphenyl)methanethiol
CID 116954536
(1R)-2-methyl-1-(2,4,6-trimethoxyphenyl)butan-1-amine;hydrochloride
CID 171201061

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-1-(2,4,6-trimethoxyphenyl)pentan-1-amine?
The IUPAC name of N,3-dimethyl-1-(2,4,6-trimethoxyphenyl)pentan-1-amine (CID 114874234) is N,3-dimethyl-1-(2,4,6-trimethoxyphenyl)pentan-1-amine.
What is the SMILES notation for N,3-dimethyl-1-(2,4,6-trimethoxyphenyl)pentan-1-amine?
The canonical SMILES for N,3-dimethyl-1-(2,4,6-trimethoxyphenyl)pentan-1-amine is CCC(C)CC(NC)c1c(OC)cc(OC)cc1OC.
What is the InChIKey of N,3-dimethyl-1-(2,4,6-trimethoxyphenyl)pentan-1-amine?
The InChIKey is MVACPLVHQGGRTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-7-11(2)8-13(17-3)16-14(19-5)9-12(18-4)10-15(16)20-6/h9-11,13,17H,7-8H2,1-6H3.
What are the key properties of N,3-dimethyl-1-(2,4,6-trimethoxyphenyl)pentan-1-amine?
N,3-dimethyl-1-(2,4,6-trimethoxyphenyl)pentan-1-amine has a molecular weight of 281.40 g/mol, XLogP of 3.41, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-1-(2,4,6-trimethoxyphenyl)pentan-1-amine is sourced from PubChem (CID 114874234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).