(1S)-1-(4-methoxyphenyl)-N-[1-(1-methylcyclopropyl)ethyl]ethanamine

C15H23NO — CID 81370556

IUPAC(1S)-1-(4-methoxyphenyl)-N-[1-(1-methylcyclopropyl)ethyl]ethanamine
SMILESCOc1ccc([C@H](C)NC(C)C2(C)CC2)cc1
InChIInChI=1S/C15H23NO/c1-11(16-12(2)15(3)9-10-15)13-5-7-14(17-4)8-6-13/h5-8,11-12,16H,9-10H2,1-4H3/t11-,12?/m0/s1
InChIKeyNFPCUSTWZJSFFV-PXYINDEMSA-N
MW233.35 g/mol
LogP3.53
Rot. Bonds5

About (1S)-1-(4-methoxyphenyl)-N-[1-(1-methylcyclopropyl)ethyl]ethanamine

(1S)-1-(4-methoxyphenyl)-N-[1-(1-methylcyclopropyl)ethyl]ethanamine (PubChem CID 81370556) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is (1S)-1-(4-methoxyphenyl)-N-[1-(1-methylcyclopropyl)ethyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-(4-methoxyphenyl)-N-[1-(1-methylcyclopropyl)ethyl]ethanamine
PubChem CID81370556
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name(1S)-1-(4-methoxyphenyl)-N-[1-(1-methylcyclopropyl)ethyl]ethanamine
SMILESCOc1ccc([C@H](C)NC(C)C2(C)CC2)cc1
InChIInChI=1S/C15H23NO/c1-11(16-12(2)15(3)9-10-15)13-5-7-14(17-4)8-6-13/h5-8,11-12,16H,9-10H2,1-4H3/t11-,12?/m0/s1
InChIKeyNFPCUSTWZJSFFV-PXYINDEMSA-N
XLogP3.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethoxyphenyl)-N-[1-(1-methylcyclopropyl)ethyl]ethanamine
CID 43734738
1-(4-methoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]ethanamine
CID 12644064
(1R)-N-[1-(1-methylcyclopropyl)ethyl]-1-pyridin-4-ylethanamine
CID 81405399
N-[1-(1-methylcyclopropyl)ethyl]-1-pyridin-4-ylethanamine
CID 43173471
3-methoxy-N-[1-(4-methoxyphenyl)ethyl]butan-2-amine
CID 113260762
N-methoxy-1-(4-methoxyphenyl)ethanamine
CID 82706779
(1S)-N-[1-(3,4-difluorophenyl)ethyl]-1-(4-methoxyphenyl)ethanamine
CID 81367859
N-[(1S)-1-(4-methoxyphenyl)ethyl]-3-methylpentan-2-amine
CID 81370732
1-cyclobutyl-N-[1-(4-methoxyphenyl)ethyl]ethanamine
CID 115714644
(1S)-N-[1-(furan-2-yl)ethyl]-1-(4-methoxyphenyl)ethanamine
CID 81371559
ethane;1-(4-methoxyphenyl)-N-methylethanamine
CID 143114257
N-[1-(4-methoxyphenyl)ethyl]formamide
CID 3115584

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-methoxyphenyl)-N-[1-(1-methylcyclopropyl)ethyl]ethanamine?
The IUPAC name of (1S)-1-(4-methoxyphenyl)-N-[1-(1-methylcyclopropyl)ethyl]ethanamine (CID 81370556) is (1S)-1-(4-methoxyphenyl)-N-[1-(1-methylcyclopropyl)ethyl]ethanamine.
What is the SMILES notation for (1S)-1-(4-methoxyphenyl)-N-[1-(1-methylcyclopropyl)ethyl]ethanamine?
The canonical SMILES for (1S)-1-(4-methoxyphenyl)-N-[1-(1-methylcyclopropyl)ethyl]ethanamine is COc1ccc([C@H](C)NC(C)C2(C)CC2)cc1.
What is the InChIKey of (1S)-1-(4-methoxyphenyl)-N-[1-(1-methylcyclopropyl)ethyl]ethanamine?
The InChIKey is NFPCUSTWZJSFFV-PXYINDEMSA-N. The full InChI is InChI=1S/C15H23NO/c1-11(16-12(2)15(3)9-10-15)13-5-7-14(17-4)8-6-13/h5-8,11-12,16H,9-10H2,1-4H3/t11-,12?/m0/s1.
What are the key properties of (1S)-1-(4-methoxyphenyl)-N-[1-(1-methylcyclopropyl)ethyl]ethanamine?
(1S)-1-(4-methoxyphenyl)-N-[1-(1-methylcyclopropyl)ethyl]ethanamine has a molecular weight of 233.35 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-methoxyphenyl)-N-[1-(1-methylcyclopropyl)ethyl]ethanamine is sourced from PubChem (CID 81370556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).