ethane;2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidin-3-amine

C19H32N2O — CID 154681369

IUPACethane;2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidin-3-amine
SMILESCC.NC1CCNC1COC1CCC(c2ccccc2)CC1
InChIInChI=1S/C17H26N2O.C2H6/c18-16-10-11-19-17(16)12-20-15-8-6-14(7-9-15)13-4-2-1-3-5-13;1-2/h1-5,14-17,19H,6-12,18H2;1-2H3
InChIKeyISKPOLGHHHLOES-UHFFFAOYSA-N
MW304.48 g/mol
LogP3.44
Rot. Bonds4

About ethane;2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidin-3-amine

ethane;2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidin-3-amine (PubChem CID 154681369) has the molecular formula C19H32N2O and a molecular weight of 304.48 g/mol. Its IUPAC name is ethane;2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidin-3-amine.

Molecular Properties

Compound Nameethane;2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidin-3-amine
PubChem CID154681369
Molecular FormulaC19H32N2O
Molecular Weight304.48 g/mol
Exact Mass304.25
IUPAC Nameethane;2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidin-3-amine
SMILESCC.NC1CCNC1COC1CCC(c2ccccc2)CC1
InChIInChI=1S/C17H26N2O.C2H6/c18-16-10-11-19-17(16)12-20-15-8-6-14(7-9-15)13-4-2-1-3-5-13;1-2/h1-5,14-17,19H,6-12,18H2;1-2H3
InChIKeyISKPOLGHHHLOES-UHFFFAOYSA-N
XLogP3.44
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

US11098029, Example 18
CID 155054606
(3R,5S)-5-benzhydryl-N-(2-phenylethyl)oxolan-3-amine
CID 73053891
(3S,5S)-5-benzhydryl-N-(2-phenylethyl)oxolan-3-amine
CID 73057974
US11098029, Example 30
CID 154622552
(2S)-2-[[(E)-11-(4-phenylphenyl)undec-10-enoxy]methyl]pyrrolidine;hydrochloride
CID 145966322
(2S)-2-[[(E)-10-(4-phenylphenyl)dec-9-enoxy]methyl]pyrrolidine;hydrochloride
CID 145966424
(2S)-2-[[(E)-8-(4-phenylphenyl)oct-7-enoxy]methyl]pyrrolidine;hydrochloride
CID 145978160
US10287305, Example 109
CID 130310181
US11098029, Example 65
CID 154622398
(2R)-2-[[4-[2-(trifluoromethyl)phenyl]cyclohexyl]oxymethyl]piperidin-3-amine
CID 130335961
(2R)-2-[[4-(2,6-difluorophenyl)cyclohexyl]oxymethyl]piperidin-3-amine
CID 130336293
(2R,3S)-2-[[4-(2,6-difluorophenyl)cyclohexyl]oxymethyl]-N-methylsulfanylpiperidin-3-amine
CID 130336294

Frequently Asked Questions

What is the IUPAC name of ethane;2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidin-3-amine?
The IUPAC name of ethane;2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidin-3-amine (CID 154681369) is ethane;2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidin-3-amine.
What is the SMILES notation for ethane;2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidin-3-amine?
The canonical SMILES for ethane;2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidin-3-amine is CC.NC1CCNC1COC1CCC(c2ccccc2)CC1.
What is the InChIKey of ethane;2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidin-3-amine?
The InChIKey is ISKPOLGHHHLOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O.C2H6/c18-16-10-11-19-17(16)12-20-15-8-6-14(7-9-15)13-4-2-1-3-5-13;1-2/h1-5,14-17,19H,6-12,18H2;1-2H3.
What are the key properties of ethane;2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidin-3-amine?
ethane;2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidin-3-amine has a molecular weight of 304.48 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[(4-phenylcyclohexyl)oxymethyl]pyrrolidin-3-amine is sourced from PubChem (CID 154681369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).