N-[(3-methylphenyl)methyl]-1-(oxolan-2-yl)ethanamine

C14H21NO — CID 43208430

IUPACN-[(3-methylphenyl)methyl]-1-(oxolan-2-yl)ethanamine
SMILESCc1cccc(CNC(C)C2CCCO2)c1
InChIInChI=1S/C14H21NO/c1-11-5-3-6-13(9-11)10-15-12(2)14-7-4-8-16-14/h3,5-6,9,12,14-15H,4,7-8,10H2,1-2H3
InChIKeyUYSCBKIHCSDXLL-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.65
Rot. Bonds4

About N-[(3-methylphenyl)methyl]-1-(oxolan-2-yl)ethanamine

N-[(3-methylphenyl)methyl]-1-(oxolan-2-yl)ethanamine (PubChem CID 43208430) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N-[(3-methylphenyl)methyl]-1-(oxolan-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(3-methylphenyl)methyl]-1-(oxolan-2-yl)ethanamine
PubChem CID43208430
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN-[(3-methylphenyl)methyl]-1-(oxolan-2-yl)ethanamine
SMILESCc1cccc(CNC(C)C2CCCO2)c1
InChIInChI=1S/C14H21NO/c1-11-5-3-6-13(9-11)10-15-12(2)14-7-4-8-16-14/h3,5-6,9,12,14-15H,4,7-8,10H2,1-2H3
InChIKeyUYSCBKIHCSDXLL-UHFFFAOYSA-N
XLogP2.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-ethoxyphenyl)methyl]-1-(oxolan-2-yl)ethanamine
CID 60873140
N-[(3-chloro-4-methylphenyl)methyl]-1-(oxolan-2-yl)ethanamine
CID 106816198
N-[(3,4-dichlorophenyl)methyl]-1-(oxolan-2-yl)ethanamine
CID 43208415
N-[(4-fluoro-3-methylphenyl)methyl]-1-(oxolan-2-yl)ethanamine
CID 55039910
(1S)-N-methyl-2-(3-methylphenyl)-1-[(2S)-oxolan-2-yl]ethanamine
CID 124509379
N-[(4-tert-butylphenyl)methyl]-1-(oxolan-2-yl)ethanamine
CID 43111659
N-[(4-methoxyphenyl)methyl]-1-(oxolan-2-yl)ethanamine
CID 43208412
N-[(5-bromothiophen-3-yl)methyl]-1-(oxolan-2-yl)ethanamine
CID 43432082
N-[(4-ethoxyphenyl)methyl]-1-(oxolan-2-yl)ethanamine
CID 43208422
5-methyl-4-[[1-(oxolan-2-yl)ethylamino]methyl]furan-2-carboxylic acid
CID 103238599
N-[2-(2,5-dimethylphenyl)sulfanylethyl]-1-(oxolan-2-yl)ethanamine
CID 62584856
N-[(3,5-dibromo-4-ethoxyphenyl)methyl]-1-(oxolan-2-yl)ethanamine
CID 43435325

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)methyl]-1-(oxolan-2-yl)ethanamine?
The IUPAC name of N-[(3-methylphenyl)methyl]-1-(oxolan-2-yl)ethanamine (CID 43208430) is N-[(3-methylphenyl)methyl]-1-(oxolan-2-yl)ethanamine.
What is the SMILES notation for N-[(3-methylphenyl)methyl]-1-(oxolan-2-yl)ethanamine?
The canonical SMILES for N-[(3-methylphenyl)methyl]-1-(oxolan-2-yl)ethanamine is Cc1cccc(CNC(C)C2CCCO2)c1.
What is the InChIKey of N-[(3-methylphenyl)methyl]-1-(oxolan-2-yl)ethanamine?
The InChIKey is UYSCBKIHCSDXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-11-5-3-6-13(9-11)10-15-12(2)14-7-4-8-16-14/h3,5-6,9,12,14-15H,4,7-8,10H2,1-2H3.
What are the key properties of N-[(3-methylphenyl)methyl]-1-(oxolan-2-yl)ethanamine?
N-[(3-methylphenyl)methyl]-1-(oxolan-2-yl)ethanamine has a molecular weight of 219.33 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)methyl]-1-(oxolan-2-yl)ethanamine is sourced from PubChem (CID 43208430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).