1-ethyl-N,N-dimethyl-4-[[3-[(3S)-pyrrolidin-3-yl]oxyphenyl]methyl]cyclohexan-1-amine

C21H34N2O — CID 154938667

IUPAC1-ethyl-N,N-dimethyl-4-[[3-[(3S)-pyrrolidin-3-yl]oxyphenyl]methyl]cyclohexan-1-amine
SMILESCCC1(N(C)C)CCC(Cc2cccc(O[C@H]3CCNC3)c2)CC1
InChIInChI=1S/C21H34N2O/c1-4-21(23(2)3)11-8-17(9-12-21)14-18-6-5-7-19(15-18)24-20-10-13-22-16-20/h5-7,15,17,20,22H,4,8-14,16H2,1-3H3/t17?,20-,21?/m0/s1
InChIKeyWXLSVJUTCHXDID-SGDIKTSBSA-N
MW330.52 g/mol
LogP3.87
Rot. Bonds6

About 1-ethyl-N,N-dimethyl-4-[[3-[(3S)-pyrrolidin-3-yl]oxyphenyl]methyl]cyclohexan-1-amine

1-ethyl-N,N-dimethyl-4-[[3-[(3S)-pyrrolidin-3-yl]oxyphenyl]methyl]cyclohexan-1-amine (PubChem CID 154938667) has the molecular formula C21H34N2O and a molecular weight of 330.52 g/mol. Its IUPAC name is 1-ethyl-N,N-dimethyl-4-[[3-[(3S)-pyrrolidin-3-yl]oxyphenyl]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-ethyl-N,N-dimethyl-4-[[3-[(3S)-pyrrolidin-3-yl]oxyphenyl]methyl]cyclohexan-1-amine
PubChem CID154938667
Molecular FormulaC21H34N2O
Molecular Weight330.52 g/mol
Exact Mass330.27
IUPAC Name1-ethyl-N,N-dimethyl-4-[[3-[(3S)-pyrrolidin-3-yl]oxyphenyl]methyl]cyclohexan-1-amine
SMILESCCC1(N(C)C)CCC(Cc2cccc(O[C@H]3CCNC3)c2)CC1
InChIInChI=1S/C21H34N2O/c1-4-21(23(2)3)11-8-17(9-12-21)14-18-6-5-7-19(15-18)24-20-10-13-22-16-20/h5-7,15,17,20,22H,4,8-14,16H2,1-3H3/t17?,20-,21?/m0/s1
InChIKeyWXLSVJUTCHXDID-SGDIKTSBSA-N
XLogP3.87
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.52
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-(3-ethylphenoxy)pyrrolidine
CID 26192115
3-[(3-cyclopropyloxyphenyl)methyl]pyrrolidine
CID 84785505
1-methyl-4-[3-(piperidin-3-ylmethyl)phenoxy]piperidine
CID 117466208
4-(3-ethylphenoxy)piperidine;hydrochloride
CID 46735688
(3R)-3-(3-methylphenoxy)pyrrolidine
CID 24795651
3-(3-methylphenoxy)pyrrolidine
CID 18337170
3-[(3R)-pyrrolidin-3-yl]oxyaniline
CID 74892056
3-pyrrolidin-3-yloxyphenol
CID 83482218
3-[(3-methoxyphenyl)methoxy]pyrrolidine
CID 20735282
3-[[3-(thian-3-yloxy)phenyl]methyl]piperidine
CID 117470997
3-pyrrolidin-3-yloxybenzaldehyde
CID 87190134
(3S)-3-(4-chloro-3-methylphenoxy)pyrrolidine
CID 86314613

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N,N-dimethyl-4-[[3-[(3S)-pyrrolidin-3-yl]oxyphenyl]methyl]cyclohexan-1-amine?
The IUPAC name of 1-ethyl-N,N-dimethyl-4-[[3-[(3S)-pyrrolidin-3-yl]oxyphenyl]methyl]cyclohexan-1-amine (CID 154938667) is 1-ethyl-N,N-dimethyl-4-[[3-[(3S)-pyrrolidin-3-yl]oxyphenyl]methyl]cyclohexan-1-amine.
What is the SMILES notation for 1-ethyl-N,N-dimethyl-4-[[3-[(3S)-pyrrolidin-3-yl]oxyphenyl]methyl]cyclohexan-1-amine?
The canonical SMILES for 1-ethyl-N,N-dimethyl-4-[[3-[(3S)-pyrrolidin-3-yl]oxyphenyl]methyl]cyclohexan-1-amine is CCC1(N(C)C)CCC(Cc2cccc(O[C@H]3CCNC3)c2)CC1.
What is the InChIKey of 1-ethyl-N,N-dimethyl-4-[[3-[(3S)-pyrrolidin-3-yl]oxyphenyl]methyl]cyclohexan-1-amine?
The InChIKey is WXLSVJUTCHXDID-SGDIKTSBSA-N. The full InChI is InChI=1S/C21H34N2O/c1-4-21(23(2)3)11-8-17(9-12-21)14-18-6-5-7-19(15-18)24-20-10-13-22-16-20/h5-7,15,17,20,22H,4,8-14,16H2,1-3H3/t17?,20-,21?/m0/s1.
What are the key properties of 1-ethyl-N,N-dimethyl-4-[[3-[(3S)-pyrrolidin-3-yl]oxyphenyl]methyl]cyclohexan-1-amine?
1-ethyl-N,N-dimethyl-4-[[3-[(3S)-pyrrolidin-3-yl]oxyphenyl]methyl]cyclohexan-1-amine has a molecular weight of 330.52 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N,N-dimethyl-4-[[3-[(3S)-pyrrolidin-3-yl]oxyphenyl]methyl]cyclohexan-1-amine is sourced from PubChem (CID 154938667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).