1-cyclopropyl-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]ethanamine

C16H25NO2 — CID 43400202

IUPAC1-cyclopropyl-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]ethanamine
SMILESCOc1cc(CNC(C)C2CC2)ccc1OC(C)C
InChIInChI=1S/C16H25NO2/c1-11(2)19-15-8-5-13(9-16(15)18-4)10-17-12(3)14-6-7-14/h5,8-9,11-12,14,17H,6-7,10H2,1-4H3
InChIKeyBRADAPQQAWQVLH-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.37
Rot. Bonds7

About 1-cyclopropyl-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]ethanamine

1-cyclopropyl-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]ethanamine (PubChem CID 43400202) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-cyclopropyl-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]ethanamine
PubChem CID43400202
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-cyclopropyl-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]ethanamine
SMILESCOc1cc(CNC(C)C2CC2)ccc1OC(C)C
InChIInChI=1S/C16H25NO2/c1-11(2)19-15-8-5-13(9-16(15)18-4)10-17-12(3)14-6-7-14/h5,8-9,11-12,14,17H,6-7,10H2,1-4H3
InChIKeyBRADAPQQAWQVLH-UHFFFAOYSA-N
XLogP3.37
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-N-[(3,4-dimethoxyphenyl)methyl]ethanamine
CID 62633318
1-(3,4-dimethoxyphenyl)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]methanamine
CID 30611503
N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-3,3-dimethylbutan-2-amine
CID 115623081
4-[[[(1R)-1-cyclopentylethyl]amino]methyl]-2-methoxyphenol
CID 81396225
N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]but-3-yn-2-amine
CID 114415529
(1S)-N-[(3-bromo-4-methoxyphenyl)methyl]-1-cycloheptylethanamine
CID 81391440
4-[[[(1R)-1-cycloheptylethyl]amino]methyl]-2-methoxyphenol
CID 81391316
(2S)-2-[(3-methoxy-4-propan-2-yloxyphenyl)methylamino]butan-1-ol
CID 28724580
N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-1-methylpiperidin-4-amine
CID 43215948
2-methoxy-4-[[1-(oxan-4-yl)ethylamino]methyl]phenol
CID 103779359
5-[[[(1R)-1-cyclopentylethyl]amino]methyl]-2-methoxybenzonitrile
CID 81396043
4-[(1-cyclopentylethylamino)methyl]-2-methoxybenzonitrile
CID 106787528

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]ethanamine?
The IUPAC name of 1-cyclopropyl-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]ethanamine (CID 43400202) is 1-cyclopropyl-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]ethanamine.
What is the SMILES notation for 1-cyclopropyl-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]ethanamine?
The canonical SMILES for 1-cyclopropyl-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]ethanamine is COc1cc(CNC(C)C2CC2)ccc1OC(C)C.
What is the InChIKey of 1-cyclopropyl-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]ethanamine?
The InChIKey is BRADAPQQAWQVLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-11(2)19-15-8-5-13(9-16(15)18-4)10-17-12(3)14-6-7-14/h5,8-9,11-12,14,17H,6-7,10H2,1-4H3.
What are the key properties of 1-cyclopropyl-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]ethanamine?
1-cyclopropyl-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]ethanamine has a molecular weight of 263.38 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]ethanamine is sourced from PubChem (CID 43400202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).