7-fluoro-N,N-dimethyl-6-phenylmethoxy-2,3,4,9-tetrahydro-1H-carbazol-3-amine

C21H23FN2O — CID 23340474

IUPAC7-fluoro-N,N-dimethyl-6-phenylmethoxy-2,3,4,9-tetrahydro-1H-carbazol-3-amine
SMILESCN(C)C1CCc2[nH]c3cc(F)c(OCc4ccccc4)cc3c2C1
InChIInChI=1S/C21H23FN2O/c1-24(2)15-8-9-19-16(10-15)17-11-21(18(22)12-20(17)23-19)25-13-14-6-4-3-5-7-14/h3-7,11-12,15,23H,8-10,13H2,1-2H3
InChIKeyDQLGMERDPOLHFH-UHFFFAOYSA-N
MW338.43 g/mol
LogP4.30
Rot. Bonds4

About 7-fluoro-N,N-dimethyl-6-phenylmethoxy-2,3,4,9-tetrahydro-1H-carbazol-3-amine

7-fluoro-N,N-dimethyl-6-phenylmethoxy-2,3,4,9-tetrahydro-1H-carbazol-3-amine (PubChem CID 23340474) has the molecular formula C21H23FN2O and a molecular weight of 338.43 g/mol. Its IUPAC name is 7-fluoro-N,N-dimethyl-6-phenylmethoxy-2,3,4,9-tetrahydro-1H-carbazol-3-amine.

Molecular Properties

Compound Name7-fluoro-N,N-dimethyl-6-phenylmethoxy-2,3,4,9-tetrahydro-1H-carbazol-3-amine
PubChem CID23340474
Molecular FormulaC21H23FN2O
Molecular Weight338.43 g/mol
Exact Mass338.18
IUPAC Name7-fluoro-N,N-dimethyl-6-phenylmethoxy-2,3,4,9-tetrahydro-1H-carbazol-3-amine
SMILESCN(C)C1CCc2[nH]c3cc(F)c(OCc4ccccc4)cc3c2C1
InChIInChI=1S/C21H23FN2O/c1-24(2)15-8-9-19-16(10-15)17-11-21(18(22)12-20(17)23-19)25-13-14-6-4-3-5-7-14/h3-7,11-12,15,23H,8-10,13H2,1-2H3
InChIKeyDQLGMERDPOLHFH-UHFFFAOYSA-N
XLogP4.30
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-5-phenylmethoxy-2,3,4,9-tetrahydro-1H-carbazol-3-amine
CID 12891865
N,N-dimethyl-5-phenylmethoxy-2,3,4,9-tetrahydro-1H-carbazol-3-amine;hydrochloride
CID 23470481
(3S)-7,8-difluoro-N,N-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine
CID 129404110
5-methoxy-N,N-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine
CID 12891872
(3R)-N,N-dimethyl-8-methylsulfanyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine
CID 129396498
N-[6-(dimethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]-4-fluorobenzamide;oxalic acid
CID 22611378
N,N-dimethyl-6,7,8,9-tetrahydro-5H-pyrido[3,2-b]indol-8-amine
CID 91536918
6-fluoro-2-methyl-7-phenylmethoxy-1H-quinolin-4-one
CID 22641455
N-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3-phenyl-N-propylpropanamide
CID 141196596
[6-(dimethylamino)-6,7,8,9-tetrahydro-5H-carbazol-1-yl]methyl benzoate
CID 23470321
(3S)-N,N-di(propan-2-yl)-2,3,4,9-tetrahydro-1H-carbazol-3-amine
CID 73057285
N-benzyl-6-fluoro-N-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 91126905

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N,N-dimethyl-6-phenylmethoxy-2,3,4,9-tetrahydro-1H-carbazol-3-amine?
The IUPAC name of 7-fluoro-N,N-dimethyl-6-phenylmethoxy-2,3,4,9-tetrahydro-1H-carbazol-3-amine (CID 23340474) is 7-fluoro-N,N-dimethyl-6-phenylmethoxy-2,3,4,9-tetrahydro-1H-carbazol-3-amine.
What is the SMILES notation for 7-fluoro-N,N-dimethyl-6-phenylmethoxy-2,3,4,9-tetrahydro-1H-carbazol-3-amine?
The canonical SMILES for 7-fluoro-N,N-dimethyl-6-phenylmethoxy-2,3,4,9-tetrahydro-1H-carbazol-3-amine is CN(C)C1CCc2[nH]c3cc(F)c(OCc4ccccc4)cc3c2C1.
What is the InChIKey of 7-fluoro-N,N-dimethyl-6-phenylmethoxy-2,3,4,9-tetrahydro-1H-carbazol-3-amine?
The InChIKey is DQLGMERDPOLHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O/c1-24(2)15-8-9-19-16(10-15)17-11-21(18(22)12-20(17)23-19)25-13-14-6-4-3-5-7-14/h3-7,11-12,15,23H,8-10,13H2,1-2H3.
What are the key properties of 7-fluoro-N,N-dimethyl-6-phenylmethoxy-2,3,4,9-tetrahydro-1H-carbazol-3-amine?
7-fluoro-N,N-dimethyl-6-phenylmethoxy-2,3,4,9-tetrahydro-1H-carbazol-3-amine has a molecular weight of 338.43 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N,N-dimethyl-6-phenylmethoxy-2,3,4,9-tetrahydro-1H-carbazol-3-amine is sourced from PubChem (CID 23340474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).