N-tert-butyl-3-[2-(methoxymethyl)phenyl]-2-methylprop-2-en-1-amine

C16H25NO — CID 79340745

IUPACN-tert-butyl-3-[2-(methoxymethyl)phenyl]-2-methylprop-2-en-1-amine
SMILESCOCc1ccccc1C=C(C)CNC(C)(C)C
InChIInChI=1S/C16H25NO/c1-13(11-17-16(2,3)4)10-14-8-6-7-9-15(14)12-18-5/h6-10,17H,11-12H2,1-5H3
InChIKeyWDCIISIHGHEPPO-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.62
Rot. Bonds5

About N-tert-butyl-3-[2-(methoxymethyl)phenyl]-2-methylprop-2-en-1-amine

N-tert-butyl-3-[2-(methoxymethyl)phenyl]-2-methylprop-2-en-1-amine (PubChem CID 79340745) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-tert-butyl-3-[2-(methoxymethyl)phenyl]-2-methylprop-2-en-1-amine.

Molecular Properties

Compound NameN-tert-butyl-3-[2-(methoxymethyl)phenyl]-2-methylprop-2-en-1-amine
PubChem CID79340745
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-tert-butyl-3-[2-(methoxymethyl)phenyl]-2-methylprop-2-en-1-amine
SMILESCOCc1ccccc1C=C(C)CNC(C)(C)C
InChIInChI=1S/C16H25NO/c1-13(11-17-16(2,3)4)10-14-8-6-7-9-15(14)12-18-5/h6-10,17H,11-12H2,1-5H3
InChIKeyWDCIISIHGHEPPO-UHFFFAOYSA-N
XLogP3.62
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(methoxymethyl)phenyl]-N,2-dimethylprop-2-en-1-amine
CID 79341607
N-tert-butyl-2-methyl-3-phenylprop-2-en-1-amine
CID 72556558
3-[2-(methoxymethyl)phenyl]-2-methylprop-2-enoic acid
CID 79725443
2-[[2-(methoxymethyl)phenyl]methylidene]-3-methyl-N-propan-2-ylbutan-1-amine
CID 79338998
N-tert-butyl-2-methyl-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-amine
CID 79343823
2-[[2-(methoxymethyl)phenyl]methylidene]-N-propylbutan-1-amine
CID 79329088
N-[(E)-3-chloro-2-methylprop-2-enyl]-2-(methoxymethyl)aniline
CID 106437606
N-(2-methoxyethyl)-3-(2-methoxyphenyl)-2-methylprop-2-en-1-amine
CID 79338510
(Z)-N-tert-butyl-3-(5-chloroquinolin-8-yl)-2-methylprop-2-en-1-amine
CID 115960646
N-tert-butyl-3-methyl-2-(naphthalen-1-ylmethylidene)butan-1-amine
CID 79342653
N-tert-butyl-2-methyl-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-amine
CID 79341054
1-[3-[2-(methoxymethyl)phenyl]-2-methylprop-2-enyl]-4-(oxolan-3-ylmethyl)piperazine
CID 154742529

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[2-(methoxymethyl)phenyl]-2-methylprop-2-en-1-amine?
The IUPAC name of N-tert-butyl-3-[2-(methoxymethyl)phenyl]-2-methylprop-2-en-1-amine (CID 79340745) is N-tert-butyl-3-[2-(methoxymethyl)phenyl]-2-methylprop-2-en-1-amine.
What is the SMILES notation for N-tert-butyl-3-[2-(methoxymethyl)phenyl]-2-methylprop-2-en-1-amine?
The canonical SMILES for N-tert-butyl-3-[2-(methoxymethyl)phenyl]-2-methylprop-2-en-1-amine is COCc1ccccc1C=C(C)CNC(C)(C)C.
What is the InChIKey of N-tert-butyl-3-[2-(methoxymethyl)phenyl]-2-methylprop-2-en-1-amine?
The InChIKey is WDCIISIHGHEPPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-13(11-17-16(2,3)4)10-14-8-6-7-9-15(14)12-18-5/h6-10,17H,11-12H2,1-5H3.
What are the key properties of N-tert-butyl-3-[2-(methoxymethyl)phenyl]-2-methylprop-2-en-1-amine?
N-tert-butyl-3-[2-(methoxymethyl)phenyl]-2-methylprop-2-en-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[2-(methoxymethyl)phenyl]-2-methylprop-2-en-1-amine is sourced from PubChem (CID 79340745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).