3,3-dimethyl-5-(2,3,4-trimethoxyphenyl)pentan-1-amine

C16H27NO3 — CID 65305448

IUPAC3,3-dimethyl-5-(2,3,4-trimethoxyphenyl)pentan-1-amine
SMILESCOc1ccc(CCC(C)(C)CCN)c(OC)c1OC
InChIInChI=1S/C16H27NO3/c1-16(2,10-11-17)9-8-12-6-7-13(18-3)15(20-5)14(12)19-4/h6-7H,8-11,17H2,1-5H3
InChIKeyXKIUHYGKLYJCAV-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.02
Rot. Bonds8

About 3,3-dimethyl-5-(2,3,4-trimethoxyphenyl)pentan-1-amine

3,3-dimethyl-5-(2,3,4-trimethoxyphenyl)pentan-1-amine (PubChem CID 65305448) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 3,3-dimethyl-5-(2,3,4-trimethoxyphenyl)pentan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-5-(2,3,4-trimethoxyphenyl)pentan-1-amine
PubChem CID65305448
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name3,3-dimethyl-5-(2,3,4-trimethoxyphenyl)pentan-1-amine
SMILESCOc1ccc(CCC(C)(C)CCN)c(OC)c1OC
InChIInChI=1S/C16H27NO3/c1-16(2,10-11-17)9-8-12-6-7-13(18-3)15(20-5)14(12)19-4/h6-7H,8-11,17H2,1-5H3
InChIKeyXKIUHYGKLYJCAV-UHFFFAOYSA-N
XLogP3.02
TPSA53.71 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 ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(2,3,4-trimethoxyphenyl)ethoxy]ethanamine
CID 65305545
2-methyl-N-[2-(2,3,4-trimethoxyphenyl)ethyl]propan-2-amine
CID 64865802
5-(4-methoxy-3-methylphenyl)-3,3-dimethylpentan-1-amine
CID 65305287
trimethoxy-[3-(2,3,4-trimethoxyphenyl)propyl]silane
CID 174513383
3-(2,3,4-trimethoxyphenyl)propan-1-ol
CID 11790895
2-(4-methoxynaphthalen-1-yl)ethanamine
CID 1251790
N-(2-amino-2-methylpropyl)-3-(2,3,4-trimethoxyphenyl)propanamide;hydrochloride
CID 119630582
3,3-dimethyl-4-[(2,3,4-trimethoxyphenyl)methylamino]butan-1-ol
CID 103708140
N'-[(2,3,4-trimethoxyphenyl)methyl]butane-1,4-diamine
CID 60895231
4-(2,5-dimethoxyphenyl)-3,3-dimethylbutan-1-amine
CID 94264025
5-(2,4-difluorophenyl)-3,3-dimethylpentan-1-amine
CID 65300561
(2S)-2-N-[(2,3,4-trimethoxyphenyl)methyl]propane-1,2-diamine
CID 104867748

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-5-(2,3,4-trimethoxyphenyl)pentan-1-amine?
The IUPAC name of 3,3-dimethyl-5-(2,3,4-trimethoxyphenyl)pentan-1-amine (CID 65305448) is 3,3-dimethyl-5-(2,3,4-trimethoxyphenyl)pentan-1-amine.
What is the SMILES notation for 3,3-dimethyl-5-(2,3,4-trimethoxyphenyl)pentan-1-amine?
The canonical SMILES for 3,3-dimethyl-5-(2,3,4-trimethoxyphenyl)pentan-1-amine is COc1ccc(CCC(C)(C)CCN)c(OC)c1OC.
What is the InChIKey of 3,3-dimethyl-5-(2,3,4-trimethoxyphenyl)pentan-1-amine?
The InChIKey is XKIUHYGKLYJCAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-16(2,10-11-17)9-8-12-6-7-13(18-3)15(20-5)14(12)19-4/h6-7H,8-11,17H2,1-5H3.
What are the key properties of 3,3-dimethyl-5-(2,3,4-trimethoxyphenyl)pentan-1-amine?
3,3-dimethyl-5-(2,3,4-trimethoxyphenyl)pentan-1-amine has a molecular weight of 281.40 g/mol, XLogP of 3.02, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-5-(2,3,4-trimethoxyphenyl)pentan-1-amine is sourced from PubChem (CID 65305448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).