N,N-dimethyl-1-[3-(3-methylbutoxy)phenyl]methanamine

C14H23NO — CID 142090571

IUPACN,N-dimethyl-1-[3-(3-methylbutoxy)phenyl]methanamine
SMILESCC(C)CCOc1cccc(CN(C)C)c1
InChIInChI=1S/C14H23NO/c1-12(2)8-9-16-14-7-5-6-13(10-14)11-15(3)4/h5-7,10,12H,8-9,11H2,1-4H3
InChIKeyXMLAKKXHVSMGPH-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.17
Rot. Bonds6

About N,N-dimethyl-1-[3-(3-methylbutoxy)phenyl]methanamine

N,N-dimethyl-1-[3-(3-methylbutoxy)phenyl]methanamine (PubChem CID 142090571) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is N,N-dimethyl-1-[3-(3-methylbutoxy)phenyl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[3-(3-methylbutoxy)phenyl]methanamine
PubChem CID142090571
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC NameN,N-dimethyl-1-[3-(3-methylbutoxy)phenyl]methanamine
SMILESCC(C)CCOc1cccc(CN(C)C)c1
InChIInChI=1S/C14H23NO/c1-12(2)8-9-16-14-7-5-6-13(10-14)11-15(3)4/h5-7,10,12H,8-9,11H2,1-4H3
InChIKeyXMLAKKXHVSMGPH-UHFFFAOYSA-N
XLogP3.17
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methylbutoxy)-3-(3-methylbutyl)benzene
CID 142307265
1-ethyl-3-(3-methylbutoxy)benzene
CID 64763822
ethane;1-(3-methylbutoxy)-3-(3-methylbutyl)benzene
CID 142307264
1-(chloromethyl)-3-(3-methylbutoxy)benzene
CID 28530201
N-[[3-(3-methylbutoxy)phenyl]methyl]-1-phenylmethanamine
CID 54797306
2-[3-(3-methylbutoxy)phenoxy]ethanamine
CID 25256004
ethane;1-(3-methylbutoxy)-3-propoxybenzene
CID 170603501
1-(4-fluorophenyl)-N-[[3-(3-methylbutoxy)phenyl]methyl]methanamine
CID 54803819
(1S)-1-[3-(3-methylbutoxy)phenyl]ethanamine
CID 30071838
4-fluoro-N-[[3-(3-methylbutoxy)phenyl]methyl]aniline
CID 54796497
2,4,6-trimethyl-N-[[3-(3-methylbutoxy)phenyl]methyl]aniline
CID 54796633
1-[[3-(3-methylbutoxy)phenyl]methyl]piperazine
CID 4279742

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[3-(3-methylbutoxy)phenyl]methanamine?
The IUPAC name of N,N-dimethyl-1-[3-(3-methylbutoxy)phenyl]methanamine (CID 142090571) is N,N-dimethyl-1-[3-(3-methylbutoxy)phenyl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[3-(3-methylbutoxy)phenyl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[3-(3-methylbutoxy)phenyl]methanamine is CC(C)CCOc1cccc(CN(C)C)c1.
What is the InChIKey of N,N-dimethyl-1-[3-(3-methylbutoxy)phenyl]methanamine?
The InChIKey is XMLAKKXHVSMGPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-12(2)8-9-16-14-7-5-6-13(10-14)11-15(3)4/h5-7,10,12H,8-9,11H2,1-4H3.
What are the key properties of N,N-dimethyl-1-[3-(3-methylbutoxy)phenyl]methanamine?
N,N-dimethyl-1-[3-(3-methylbutoxy)phenyl]methanamine has a molecular weight of 221.34 g/mol, XLogP of 3.17, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[3-(3-methylbutoxy)phenyl]methanamine is sourced from PubChem (CID 142090571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).