N-methyl-2-[[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]amino]methyl]aniline

C16H26N2O — CID 138052411

IUPACN-methyl-2-[[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]amino]methyl]aniline
SMILESCNc1ccccc1CNC1CC(OC(C)(C)C)C1
InChIInChI=1S/C16H26N2O/c1-16(2,3)19-14-9-13(10-14)18-11-12-7-5-6-8-15(12)17-4/h5-8,13-14,17-18H,9-11H2,1-4H3
InChIKeyOGXTXJCVPUBMSA-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.16
Rot. Bonds5

About N-methyl-2-[[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]amino]methyl]aniline

N-methyl-2-[[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]amino]methyl]aniline (PubChem CID 138052411) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-methyl-2-[[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]amino]methyl]aniline.

Molecular Properties

Compound NameN-methyl-2-[[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]amino]methyl]aniline
PubChem CID138052411
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-methyl-2-[[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]amino]methyl]aniline
SMILESCNc1ccccc1CNC1CC(OC(C)(C)C)C1
InChIInChI=1S/C16H26N2O/c1-16(2,3)19-14-9-13(10-14)18-11-12-7-5-6-8-15(12)17-4/h5-8,13-14,17-18H,9-11H2,1-4H3
InChIKeyOGXTXJCVPUBMSA-UHFFFAOYSA-N
XLogP3.16
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-methyl-2-[[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]amino]methyl]aniline with MolForge

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Related Compounds

3-[(2-methylpropan-2-yl)oxy]-N-(thiophen-3-ylmethyl)cyclobutan-1-amine
CID 115970469
N-[2-[[(3-methoxycyclobutyl)amino]methyl]phenyl]acetamide
CID 113429848
3-[(2-methylpropan-2-yl)oxy]-N-(1H-pyrazol-5-ylmethyl)cyclobutan-1-amine
CID 115971882
N-methyl-2-(methylaminomethyl)aniline
CID 576504
2-[(cyclopropylmethylamino)methyl]-N-methylaniline
CID 106703472
3-[(2-methylpropan-2-yl)oxy]-N-(1,3-thiazol-4-ylmethyl)cyclobutan-1-amine
CID 115971767
N-[[2-(methylamino)phenyl]methyl]-1-methylsulfonylpyrrolidin-3-amine
CID 138020894
1-N-cyclopropyl-2-N-[[2-(methylamino)phenyl]methyl]propane-1,2-diamine
CID 106703507
N-[[2-(diethylaminomethyl)phenyl]methyl]-3-methoxycyclobutan-1-amine
CID 104870820
tert-butyl N-[[2-(cyclopropylamino)phenyl]methyl]carbamate
CID 107247266
2-bromo-6-[[(3-methoxycyclobutyl)amino]methyl]phenol
CID 104588033
2-(2-chloroethyl)-N-methylaniline
CID 54331178

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]amino]methyl]aniline?
The IUPAC name of N-methyl-2-[[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]amino]methyl]aniline (CID 138052411) is N-methyl-2-[[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]amino]methyl]aniline.
What is the SMILES notation for N-methyl-2-[[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]amino]methyl]aniline?
The canonical SMILES for N-methyl-2-[[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]amino]methyl]aniline is CNc1ccccc1CNC1CC(OC(C)(C)C)C1.
What is the InChIKey of N-methyl-2-[[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]amino]methyl]aniline?
The InChIKey is OGXTXJCVPUBMSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-16(2,3)19-14-9-13(10-14)18-11-12-7-5-6-8-15(12)17-4/h5-8,13-14,17-18H,9-11H2,1-4H3.
What are the key properties of N-methyl-2-[[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]amino]methyl]aniline?
N-methyl-2-[[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]amino]methyl]aniline has a molecular weight of 262.40 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[[[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]amino]methyl]aniline is sourced from PubChem (CID 138052411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).