1-[2-[(3R)-6,6-dimethyl-3-phenyloxan-3-yl]ethyl]pyrrolidine

C19H29NO — CID 823348

IUPAC1-[2-[(3R)-6,6-dimethyl-3-phenyloxan-3-yl]ethyl]pyrrolidine
SMILESCC1(C)CC[C@@](CCN2CCCC2)(c2ccccc2)CO1
InChIInChI=1S/C19H29NO/c1-18(2)10-11-19(16-21-18,17-8-4-3-5-9-17)12-15-20-13-6-7-14-20/h3-5,8-9H,6-7,10-16H2,1-2H3/t19-/m0/s1
InChIKeyNMVDSCNOGAKXCC-IBGZPJMESA-N
MW287.45 g/mol
LogP4.00
Rot. Bonds4

About 1-[2-[(3R)-6,6-dimethyl-3-phenyloxan-3-yl]ethyl]pyrrolidine

1-[2-[(3R)-6,6-dimethyl-3-phenyloxan-3-yl]ethyl]pyrrolidine (PubChem CID 823348) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is 1-[2-[(3R)-6,6-dimethyl-3-phenyloxan-3-yl]ethyl]pyrrolidine.

Molecular Properties

Compound Name1-[2-[(3R)-6,6-dimethyl-3-phenyloxan-3-yl]ethyl]pyrrolidine
PubChem CID823348
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name1-[2-[(3R)-6,6-dimethyl-3-phenyloxan-3-yl]ethyl]pyrrolidine
SMILESCC1(C)CC[C@@](CCN2CCCC2)(c2ccccc2)CO1
InChIInChI=1S/C19H29NO/c1-18(2)10-11-19(16-21-18,17-8-4-3-5-9-17)12-15-20-13-6-7-14-20/h3-5,8-9H,6-7,10-16H2,1-2H3/t19-/m0/s1
InChIKeyNMVDSCNOGAKXCC-IBGZPJMESA-N
XLogP4.00
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-[(1-phenylcyclopropyl)methyl]-3-(4-pyrrolidin-1-ylbutyl)guanidine
CID 111856740
5-phenyl-5-(2-pyrrolidin-1-ylethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 3035309
(3S)-1-(dimethylamino)-3-phenyl-3-(2-piperidin-1-ylethyl)indol-2-one
CID 97356398
(3R)-1-(dimethylamino)-3-phenyl-3-(2-piperidin-1-ylethyl)indol-2-one
CID 97356397
2,2-dimethyloxirane;naphthalene
CID 175358693
(3R)-1-methyl-3-phenyl-3-(2-piperidin-1-ylethyl)pyrrolidine-2,5-dione
CID 3063422
2-methyl-1-[(4-phenyloxan-4-yl)methyl]-3-(2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111416666
1-[2-[4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]ethyl]-4-methylpiperazine;oxalic acid
CID 90485878
2-[(2-phenylacetyl)amino]-5-[1-(2-pyrrolidin-1-ylethyl)cyclopropyl]benzamide
CID 173174579
1-ethyl-4-methyl-4-phenylpiperidine
CID 70451148
1-[(3-phenyloxolan-3-yl)methyl]-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol
CID 77088633
(3R)-1-[benzyl(methyl)amino]-3-phenyl-3-(2-pyrrolidin-1-ylethyl)indol-2-one
CID 97356417

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3R)-6,6-dimethyl-3-phenyloxan-3-yl]ethyl]pyrrolidine?
The IUPAC name of 1-[2-[(3R)-6,6-dimethyl-3-phenyloxan-3-yl]ethyl]pyrrolidine (CID 823348) is 1-[2-[(3R)-6,6-dimethyl-3-phenyloxan-3-yl]ethyl]pyrrolidine.
What is the SMILES notation for 1-[2-[(3R)-6,6-dimethyl-3-phenyloxan-3-yl]ethyl]pyrrolidine?
The canonical SMILES for 1-[2-[(3R)-6,6-dimethyl-3-phenyloxan-3-yl]ethyl]pyrrolidine is CC1(C)CC[C@@](CCN2CCCC2)(c2ccccc2)CO1.
What is the InChIKey of 1-[2-[(3R)-6,6-dimethyl-3-phenyloxan-3-yl]ethyl]pyrrolidine?
The InChIKey is NMVDSCNOGAKXCC-IBGZPJMESA-N. The full InChI is InChI=1S/C19H29NO/c1-18(2)10-11-19(16-21-18,17-8-4-3-5-9-17)12-15-20-13-6-7-14-20/h3-5,8-9H,6-7,10-16H2,1-2H3/t19-/m0/s1.
What are the key properties of 1-[2-[(3R)-6,6-dimethyl-3-phenyloxan-3-yl]ethyl]pyrrolidine?
1-[2-[(3R)-6,6-dimethyl-3-phenyloxan-3-yl]ethyl]pyrrolidine has a molecular weight of 287.45 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3R)-6,6-dimethyl-3-phenyloxan-3-yl]ethyl]pyrrolidine is sourced from PubChem (CID 823348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).