ethane;N-methyl-2-(3-propylphenoxy)ethanamine

C16H31NO — CID 142327682

IUPACethane;N-methyl-2-(3-propylphenoxy)ethanamine
SMILESCC.CC.CCCc1cccc(OCCNC)c1
InChIInChI=1S/C12H19NO.2C2H6/c1-3-5-11-6-4-7-12(10-11)14-9-8-13-2;2*1-2/h4,6-7,10,13H,3,5,8-9H2,1-2H3;2*1-2H3
InChIKeyWWYJULRYBNWKFJ-UHFFFAOYSA-N
MW253.43 g/mol
LogP4.29
Rot. Bonds6

About ethane;N-methyl-2-(3-propylphenoxy)ethanamine

ethane;N-methyl-2-(3-propylphenoxy)ethanamine (PubChem CID 142327682) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is ethane;N-methyl-2-(3-propylphenoxy)ethanamine.

Molecular Properties

Compound Nameethane;N-methyl-2-(3-propylphenoxy)ethanamine
PubChem CID142327682
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Nameethane;N-methyl-2-(3-propylphenoxy)ethanamine
SMILESCC.CC.CCCc1cccc(OCCNC)c1
InChIInChI=1S/C12H19NO.2C2H6/c1-3-5-11-6-4-7-12(10-11)14-9-8-13-2;2*1-2/h4,6-7,10,13H,3,5,8-9H2,1-2H3;2*1-2H3
InChIKeyWWYJULRYBNWKFJ-UHFFFAOYSA-N
XLogP4.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2-[3-(methylaminomethyl)phenoxy]ethanamine
CID 141109153
5-(3-propylphenoxy)pentan-1-ol
CID 174619714
N-methyl-5-(3-propylphenoxy)pentanamide
CID 173258739
[2-oxo-2-[3-(3-propylphenoxy)propylamino]ethyl] acetate
CID 71072933
3-[2-(methylamino)ethoxy]phenol
CID 83619980
1-phenylmethoxy-3-propylbenzene
CID 58977798
N-[(3-butoxyphenyl)methyl]ethanamine
CID 43278316
bis(1-butyl-3-ethylbenzene);1-butyl-3-propoxybenzene;bis(1-butyl-3-propylbenzene);1,3-dibutylbenzene;1,3-dipropylbenzene;bis(1-ethyl-3-propoxybenzene);bis(1-propoxy-3-propylbenzene)
CID 161427356
1-methoxy-3-propylbenzene
CID 14270128
N-methyl-2-[3-(2-pyrrolidin-1-ylethoxy)phenyl]ethanamine
CID 170714078
1-(2,2-difluoroethoxy)-3-propylbenzene
CID 163241984
N-[[2-(3-butoxyphenyl)ethylamino]methyl]acetamide;hydrochloride
CID 141361844

Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-2-(3-propylphenoxy)ethanamine?
The IUPAC name of ethane;N-methyl-2-(3-propylphenoxy)ethanamine (CID 142327682) is ethane;N-methyl-2-(3-propylphenoxy)ethanamine.
What is the SMILES notation for ethane;N-methyl-2-(3-propylphenoxy)ethanamine?
The canonical SMILES for ethane;N-methyl-2-(3-propylphenoxy)ethanamine is CC.CC.CCCc1cccc(OCCNC)c1.
What is the InChIKey of ethane;N-methyl-2-(3-propylphenoxy)ethanamine?
The InChIKey is WWYJULRYBNWKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO.2C2H6/c1-3-5-11-6-4-7-12(10-11)14-9-8-13-2;2*1-2/h4,6-7,10,13H,3,5,8-9H2,1-2H3;2*1-2H3.
What are the key properties of ethane;N-methyl-2-(3-propylphenoxy)ethanamine?
ethane;N-methyl-2-(3-propylphenoxy)ethanamine has a molecular weight of 253.43 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-2-(3-propylphenoxy)ethanamine is sourced from PubChem (CID 142327682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).