1-(3-methoxyphenyl)-N-[(1-propan-2-ylcyclopropyl)methyl]ethanamine

C16H25NO — CID 103903248

IUPAC1-(3-methoxyphenyl)-N-[(1-propan-2-ylcyclopropyl)methyl]ethanamine
SMILESCOc1cccc(C(C)NCC2(C(C)C)CC2)c1
InChIInChI=1S/C16H25NO/c1-12(2)16(8-9-16)11-17-13(3)14-6-5-7-15(10-14)18-4/h5-7,10,12-13,17H,8-9,11H2,1-4H3
InChIKeyQVFCVVRKMDHZLE-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.78
Rot. Bonds6

About 1-(3-methoxyphenyl)-N-[(1-propan-2-ylcyclopropyl)methyl]ethanamine

1-(3-methoxyphenyl)-N-[(1-propan-2-ylcyclopropyl)methyl]ethanamine (PubChem CID 103903248) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-N-[(1-propan-2-ylcyclopropyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-N-[(1-propan-2-ylcyclopropyl)methyl]ethanamine
PubChem CID103903248
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-(3-methoxyphenyl)-N-[(1-propan-2-ylcyclopropyl)methyl]ethanamine
SMILESCOc1cccc(C(C)NCC2(C(C)C)CC2)c1
InChIInChI=1S/C16H25NO/c1-12(2)16(8-9-16)11-17-13(3)14-6-5-7-15(10-14)18-4/h5-7,10,12-13,17H,8-9,11H2,1-4H3
InChIKeyQVFCVVRKMDHZLE-UHFFFAOYSA-N
XLogP3.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methoxyphenyl)-N-[(1-phenylcyclopropyl)methyl]ethanamine
CID 71862794
N-[1-(3-methoxyphenyl)ethyl]-3-methylbutan-1-amine
CID 43193047
N-[(1R)-1-(3-methoxyphenyl)ethyl]but-2-yn-1-amine
CID 81372969
(1R)-N-(cycloheptylmethyl)-1-(3-methoxyphenyl)ethanamine
CID 81375787
3-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]-2-methylpropan-1-ol
CID 104881509
1-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]-2-methylpropan-2-ol
CID 81373628
1-N-[1-(3-methoxyphenyl)ethyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 54913145
4-[[1-(3-methoxyphenyl)ethylamino]methyl]cyclohexan-1-ol
CID 106126753
(1S)-1-(3-methoxyphenyl)-N-(oxan-4-ylmethyl)ethanamine
CID 81376149
N-[(1R)-1-(3-methoxyphenyl)ethyl]-3-methylbut-2-en-1-amine
CID 107900149
1-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]butan-2-ol
CID 81373116
N-[(1S)-1-(3-methoxyphenyl)ethyl]hexan-1-amine
CID 30052666

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-N-[(1-propan-2-ylcyclopropyl)methyl]ethanamine?
The IUPAC name of 1-(3-methoxyphenyl)-N-[(1-propan-2-ylcyclopropyl)methyl]ethanamine (CID 103903248) is 1-(3-methoxyphenyl)-N-[(1-propan-2-ylcyclopropyl)methyl]ethanamine.
What is the SMILES notation for 1-(3-methoxyphenyl)-N-[(1-propan-2-ylcyclopropyl)methyl]ethanamine?
The canonical SMILES for 1-(3-methoxyphenyl)-N-[(1-propan-2-ylcyclopropyl)methyl]ethanamine is COc1cccc(C(C)NCC2(C(C)C)CC2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-N-[(1-propan-2-ylcyclopropyl)methyl]ethanamine?
The InChIKey is QVFCVVRKMDHZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-12(2)16(8-9-16)11-17-13(3)14-6-5-7-15(10-14)18-4/h5-7,10,12-13,17H,8-9,11H2,1-4H3.
What are the key properties of 1-(3-methoxyphenyl)-N-[(1-propan-2-ylcyclopropyl)methyl]ethanamine?
1-(3-methoxyphenyl)-N-[(1-propan-2-ylcyclopropyl)methyl]ethanamine has a molecular weight of 247.38 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-N-[(1-propan-2-ylcyclopropyl)methyl]ethanamine is sourced from PubChem (CID 103903248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).