1-cyclopropyl-N-[(1R)-1-(3-methoxyphenyl)ethyl]propan-2-amine

C15H23NO — CID 104866423

IUPAC1-cyclopropyl-N-[(1R)-1-(3-methoxyphenyl)ethyl]propan-2-amine
SMILESCOc1cccc([C@@H](C)NC(C)CC2CC2)c1
InChIInChI=1S/C15H23NO/c1-11(9-13-7-8-13)16-12(2)14-5-4-6-15(10-14)17-3/h4-6,10-13,16H,7-9H2,1-3H3/t11?,12-/m1/s1
InChIKeyCTNLBLZMUHTJHS-PIJUOVFKSA-N
MW233.35 g/mol
LogP3.53
Rot. Bonds6

About 1-cyclopropyl-N-[(1R)-1-(3-methoxyphenyl)ethyl]propan-2-amine

1-cyclopropyl-N-[(1R)-1-(3-methoxyphenyl)ethyl]propan-2-amine (PubChem CID 104866423) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 1-cyclopropyl-N-[(1R)-1-(3-methoxyphenyl)ethyl]propan-2-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-[(1R)-1-(3-methoxyphenyl)ethyl]propan-2-amine
PubChem CID104866423
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name1-cyclopropyl-N-[(1R)-1-(3-methoxyphenyl)ethyl]propan-2-amine
SMILESCOc1cccc([C@@H](C)NC(C)CC2CC2)c1
InChIInChI=1S/C15H23NO/c1-11(9-13-7-8-13)16-12(2)14-5-4-6-15(10-14)17-3/h4-6,10-13,16H,7-9H2,1-3H3/t11?,12-/m1/s1
InChIKeyCTNLBLZMUHTJHS-PIJUOVFKSA-N
XLogP3.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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-cyclopropyl-N-[1-(6-methoxynaphthalen-2-yl)ethyl]propan-2-amine
CID 63989530
1-methoxy-N-[1-(3-methoxyphenyl)ethyl]propan-2-amine
CID 43191851
N-[(1S)-1-(3-methoxyphenyl)ethyl]-5-methylhexan-2-amine
CID 81376515
(1R)-N-[cyclopropyl(phenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81381917
[2-cyclopropyl-1-(3-methoxyphenyl)ethyl]hydrazine
CID 105191557
1-cyclobutyl-N-[(1R)-1-(4-methoxyphenyl)ethyl]propan-2-amine
CID 104866403
4-ethyl-N-[(1R)-1-(3-methoxyphenyl)ethyl]cyclohexan-1-amine
CID 81376641
4-[[1-(3-methoxyphenyl)ethylamino]methyl]cyclohexan-1-ol
CID 106126753
2-cyclopropyl-1-(3-methoxyphenyl)ethanamine
CID 55295548
1-cyclohexyl-N-[1-(3-methoxyphenyl)ethyl]propan-1-amine
CID 63478190
3-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]butanenitrile
CID 81373348
N-[(1S)-1-(3-methoxyphenyl)ethyl]hexan-2-amine
CID 81376303

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[(1R)-1-(3-methoxyphenyl)ethyl]propan-2-amine?
The IUPAC name of 1-cyclopropyl-N-[(1R)-1-(3-methoxyphenyl)ethyl]propan-2-amine (CID 104866423) is 1-cyclopropyl-N-[(1R)-1-(3-methoxyphenyl)ethyl]propan-2-amine.
What is the SMILES notation for 1-cyclopropyl-N-[(1R)-1-(3-methoxyphenyl)ethyl]propan-2-amine?
The canonical SMILES for 1-cyclopropyl-N-[(1R)-1-(3-methoxyphenyl)ethyl]propan-2-amine is COc1cccc([C@@H](C)NC(C)CC2CC2)c1.
What is the InChIKey of 1-cyclopropyl-N-[(1R)-1-(3-methoxyphenyl)ethyl]propan-2-amine?
The InChIKey is CTNLBLZMUHTJHS-PIJUOVFKSA-N. The full InChI is InChI=1S/C15H23NO/c1-11(9-13-7-8-13)16-12(2)14-5-4-6-15(10-14)17-3/h4-6,10-13,16H,7-9H2,1-3H3/t11?,12-/m1/s1.
What are the key properties of 1-cyclopropyl-N-[(1R)-1-(3-methoxyphenyl)ethyl]propan-2-amine?
1-cyclopropyl-N-[(1R)-1-(3-methoxyphenyl)ethyl]propan-2-amine has a molecular weight of 233.35 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[(1R)-1-(3-methoxyphenyl)ethyl]propan-2-amine is sourced from PubChem (CID 104866423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).