(1R)-1-cyclopentyl-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine

C17H27NO — CID 81394417

IUPAC(1R)-1-cyclopentyl-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine
SMILESCC(C)Oc1cccc(CN[C@H](C)C2CCCC2)c1
InChIInChI=1S/C17H27NO/c1-13(2)19-17-10-6-7-15(11-17)12-18-14(3)16-8-4-5-9-16/h6-7,10-11,13-14,16,18H,4-5,8-9,12H2,1-3H3/t14-/m1/s1
InChIKeyYBRVFWPLDYBLIX-CQSZACIVSA-N
MW261.41 g/mol
LogP4.14
Rot. Bonds6

About (1R)-1-cyclopentyl-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine

(1R)-1-cyclopentyl-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine (PubChem CID 81394417) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is (1R)-1-cyclopentyl-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-cyclopentyl-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine
PubChem CID81394417
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name(1R)-1-cyclopentyl-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine
SMILESCC(C)Oc1cccc(CN[C@H](C)C2CCCC2)c1
InChIInChI=1S/C17H27NO/c1-13(2)19-17-10-6-7-15(11-17)12-18-14(3)16-8-4-5-9-16/h6-7,10-11,13-14,16,18H,4-5,8-9,12H2,1-3H3/t14-/m1/s1
InChIKeyYBRVFWPLDYBLIX-CQSZACIVSA-N
XLogP4.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-cycloheptyl-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine
CID 81390243
1-cyclohexyl-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine
CID 63476778
(1S)-1-cyclohexyl-N-[(3-methoxyphenyl)methyl]ethanamine
CID 81387045
(1S)-1-cycloheptyl-N-[(3-methoxyphenyl)methyl]ethanamine
CID 81390552
(1R)-1-cycloheptyl-N-[(3-methoxyphenyl)methyl]ethanamine
CID 81392096
(1S)-1-cyclopentyl-N-[(3-propoxyphenyl)methyl]ethanamine
CID 81386219
(1S)-1-cycloheptyl-N-[(3-cyclopropylphenyl)methyl]ethanamine
CID 81391460
(1S)-N-[(3-bromophenyl)methyl]-1-cycloheptylethanamine
CID 81388696
(1S)-N-[(3-bromophenyl)methyl]-1-cyclohexylethanamine
CID 81387900
(1S)-N-[(3-chlorophenyl)methyl]-1-cycloheptylethanamine
CID 81388927
(2R)-2-[(3-propan-2-yloxyphenyl)methylamino]propan-1-ol
CID 114985581
N-[(3-bromophenyl)methyl]-1-cyclobutylethanamine
CID 115714631

Frequently Asked Questions

What is the IUPAC name of (1R)-1-cyclopentyl-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine?
The IUPAC name of (1R)-1-cyclopentyl-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine (CID 81394417) is (1R)-1-cyclopentyl-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine.
What is the SMILES notation for (1R)-1-cyclopentyl-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine?
The canonical SMILES for (1R)-1-cyclopentyl-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine is CC(C)Oc1cccc(CN[C@H](C)C2CCCC2)c1.
What is the InChIKey of (1R)-1-cyclopentyl-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine?
The InChIKey is YBRVFWPLDYBLIX-CQSZACIVSA-N. The full InChI is InChI=1S/C17H27NO/c1-13(2)19-17-10-6-7-15(11-17)12-18-14(3)16-8-4-5-9-16/h6-7,10-11,13-14,16,18H,4-5,8-9,12H2,1-3H3/t14-/m1/s1.
What are the key properties of (1R)-1-cyclopentyl-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine?
(1R)-1-cyclopentyl-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine has a molecular weight of 261.41 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-cyclopentyl-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine is sourced from PubChem (CID 81394417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).