N,N,2,3-tetramethyl-3-[4-[2-[methyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]ethoxy]phenyl]butan-2-amine

C23H42N2O2 — CID 135174908

IUPACN,N,2,3-tetramethyl-3-[4-[2-[methyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]ethoxy]phenyl]butan-2-amine
SMILESCN(CCOc1ccc(C(C)(C)C(C)(C)N(C)C)cc1)CCOC(C)(C)C
InChIInChI=1S/C23H42N2O2/c1-21(2,3)27-18-16-25(10)15-17-26-20-13-11-19(12-14-20)22(4,5)23(6,7)24(8)9/h11-14H,15-18H2,1-10H3
InChIKeyRVFMCLOLKYPHDX-UHFFFAOYSA-N
MW378.60 g/mol
LogP4.43
Rot. Bonds10

About N,N,2,3-tetramethyl-3-[4-[2-[methyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]ethoxy]phenyl]butan-2-amine

N,N,2,3-tetramethyl-3-[4-[2-[methyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]ethoxy]phenyl]butan-2-amine (PubChem CID 135174908) has the molecular formula C23H42N2O2 and a molecular weight of 378.60 g/mol. Its IUPAC name is N,N,2,3-tetramethyl-3-[4-[2-[methyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]ethoxy]phenyl]butan-2-amine.

Molecular Properties

Compound NameN,N,2,3-tetramethyl-3-[4-[2-[methyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]ethoxy]phenyl]butan-2-amine
PubChem CID135174908
Molecular FormulaC23H42N2O2
Molecular Weight378.60 g/mol
Exact Mass378.32
IUPAC NameN,N,2,3-tetramethyl-3-[4-[2-[methyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]ethoxy]phenyl]butan-2-amine
SMILESCN(CCOc1ccc(C(C)(C)C(C)(C)N(C)C)cc1)CCOC(C)(C)C
InChIInChI=1S/C23H42N2O2/c1-21(2,3)27-18-16-25(10)15-17-26-20-13-11-19(12-14-20)22(4,5)23(6,7)24(8)9/h11-14H,15-18H2,1-10H3
InChIKeyRVFMCLOLKYPHDX-UHFFFAOYSA-N
XLogP4.43
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.60
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-tert-butylphenoxy)-N-methyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine
CID 134582807
N-methyl-2-(4-methylphenoxy)-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine
CID 47811404
2-(4-tert-butylphenoxy)-N,N-dimethylethanamine
CID 5261951
1-[2-(4-methoxyphenoxy)ethyl-methylamino]-2-methylpropan-2-ol
CID 78927381
4-[2-[methyl(propyl)amino]ethoxy]aniline
CID 43270784
2-(4-bromophenoxy)-N-(2-chloroethyl)-N-methylethanamine
CID 63386918
N',2,2-trimethyl-N'-[2-(4-propoxyphenoxy)ethyl]propane-1,3-diamine
CID 79648025
2-(4-tert-butylphenoxy)-N-methyl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106613622
3-[4-[2-[2-(dimethylamino)ethyl-methylamino]ethoxy]phenyl]prop-2-enoic acid
CID 76951172
tert-butyl 2-[2-[2-[2-(4-ethoxyphenoxy)ethyl-methylamino]ethoxy]ethoxy]acetate
CID 135278255
N,N-dimethyl-4-[4-(2-methylbutan-2-yl)phenoxy]butan-1-amine
CID 2182203
N-[2-(4-bromophenoxy)ethyl]-3-methoxy-N-methylpropan-1-amine
CID 60970554

Frequently Asked Questions

What is the IUPAC name of N,N,2,3-tetramethyl-3-[4-[2-[methyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]ethoxy]phenyl]butan-2-amine?
The IUPAC name of N,N,2,3-tetramethyl-3-[4-[2-[methyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]ethoxy]phenyl]butan-2-amine (CID 135174908) is N,N,2,3-tetramethyl-3-[4-[2-[methyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]ethoxy]phenyl]butan-2-amine.
What is the SMILES notation for N,N,2,3-tetramethyl-3-[4-[2-[methyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]ethoxy]phenyl]butan-2-amine?
The canonical SMILES for N,N,2,3-tetramethyl-3-[4-[2-[methyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]ethoxy]phenyl]butan-2-amine is CN(CCOc1ccc(C(C)(C)C(C)(C)N(C)C)cc1)CCOC(C)(C)C.
What is the InChIKey of N,N,2,3-tetramethyl-3-[4-[2-[methyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]ethoxy]phenyl]butan-2-amine?
The InChIKey is RVFMCLOLKYPHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H42N2O2/c1-21(2,3)27-18-16-25(10)15-17-26-20-13-11-19(12-14-20)22(4,5)23(6,7)24(8)9/h11-14H,15-18H2,1-10H3.
What are the key properties of N,N,2,3-tetramethyl-3-[4-[2-[methyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]ethoxy]phenyl]butan-2-amine?
N,N,2,3-tetramethyl-3-[4-[2-[methyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]ethoxy]phenyl]butan-2-amine has a molecular weight of 378.60 g/mol, XLogP of 4.43, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2,3-tetramethyl-3-[4-[2-[methyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]ethoxy]phenyl]butan-2-amine is sourced from PubChem (CID 135174908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).