N-methyl-1-[2-(2-propoxyphenyl)phenyl]ethanamine

C18H23NO — CID 104660894

IUPACN-methyl-1-[2-(2-propoxyphenyl)phenyl]ethanamine
SMILESCCCOc1ccccc1-c1ccccc1C(C)NC
InChIInChI=1S/C18H23NO/c1-4-13-20-18-12-8-7-11-17(18)16-10-6-5-9-15(16)14(2)19-3/h5-12,14,19H,4,13H2,1-3H3
InChIKeyKZWSSCTXYJWYOU-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.42
Rot. Bonds6

About N-methyl-1-[2-(2-propoxyphenyl)phenyl]ethanamine

N-methyl-1-[2-(2-propoxyphenyl)phenyl]ethanamine (PubChem CID 104660894) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is N-methyl-1-[2-(2-propoxyphenyl)phenyl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(2-propoxyphenyl)phenyl]ethanamine
PubChem CID104660894
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC NameN-methyl-1-[2-(2-propoxyphenyl)phenyl]ethanamine
SMILESCCCOc1ccccc1-c1ccccc1C(C)NC
InChIInChI=1S/C18H23NO/c1-4-13-20-18-12-8-7-11-17(18)16-10-6-5-9-15(16)14(2)19-3/h5-12,14,19H,4,13H2,1-3H3
InChIKeyKZWSSCTXYJWYOU-UHFFFAOYSA-N
XLogP4.42
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-(2-propoxyphenyl)ethyl]propan-2-amine
CID 100555774
(2S)-N-[(1S)-1-(2-propoxyphenyl)ethyl]butan-2-amine
CID 100556071
N-methyl-2-propan-2-ylsulfanyl-1-(2-propoxyphenyl)ethanamine
CID 104660213
1-(2-propoxyphenyl)ethanol
CID 43503976
N-methyl-1-(2-pent-3-ynoxyphenyl)ethanamine
CID 104804559
3-[2-[1-(methylamino)ethyl]phenoxy]propanamide
CID 43279505
1-(3-chlorobutan-2-yl)-2-propoxybenzene
CID 104662450
(1R)-2-methyl-1-(2-propoxyphenyl)propan-1-amine;hydrochloride
CID 175653806
(1S)-N-methyl-1-(2-prop-2-enoxyphenyl)ethanamine
CID 137320021
1-(2,6-difluorophenyl)-N-methyl-1-(2-propoxyphenyl)methanamine
CID 104660446
1-(2,6-dichlorophenyl)-N-methyl-1-(2-propoxyphenyl)methanamine
CID 105035881
N-methyl-1-(2-propoxyphenyl)-1-pyridin-2-ylmethanamine
CID 104659848

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(2-propoxyphenyl)phenyl]ethanamine?
The IUPAC name of N-methyl-1-[2-(2-propoxyphenyl)phenyl]ethanamine (CID 104660894) is N-methyl-1-[2-(2-propoxyphenyl)phenyl]ethanamine.
What is the SMILES notation for N-methyl-1-[2-(2-propoxyphenyl)phenyl]ethanamine?
The canonical SMILES for N-methyl-1-[2-(2-propoxyphenyl)phenyl]ethanamine is CCCOc1ccccc1-c1ccccc1C(C)NC.
What is the InChIKey of N-methyl-1-[2-(2-propoxyphenyl)phenyl]ethanamine?
The InChIKey is KZWSSCTXYJWYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-4-13-20-18-12-8-7-11-17(18)16-10-6-5-9-15(16)14(2)19-3/h5-12,14,19H,4,13H2,1-3H3.
What are the key properties of N-methyl-1-[2-(2-propoxyphenyl)phenyl]ethanamine?
N-methyl-1-[2-(2-propoxyphenyl)phenyl]ethanamine has a molecular weight of 269.39 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(2-propoxyphenyl)phenyl]ethanamine is sourced from PubChem (CID 104660894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).