N-methyl-N-phenyl-9-propan-2-yl-5,6-dihydrocarbazol-3-amine

C22H24N2 — CID 66656683

IUPACN-methyl-N-phenyl-9-propan-2-yl-5,6-dihydrocarbazol-3-amine
SMILESCC(C)n1c2c(c3cc(N(C)c4ccccc4)ccc31)CCC=C2
InChIInChI=1S/C22H24N2/c1-16(2)24-21-12-8-7-11-19(21)20-15-18(13-14-22(20)24)23(3)17-9-5-4-6-10-17/h4-6,8-10,12-16H,7,11H2,1-3H3
InChIKeyFYUPWHGFFXBMPE-UHFFFAOYSA-N
MW316.45 g/mol
LogP5.95
Rot. Bonds3

About N-methyl-N-phenyl-9-propan-2-yl-5,6-dihydrocarbazol-3-amine

N-methyl-N-phenyl-9-propan-2-yl-5,6-dihydrocarbazol-3-amine (PubChem CID 66656683) has the molecular formula C22H24N2 and a molecular weight of 316.45 g/mol. Its IUPAC name is N-methyl-N-phenyl-9-propan-2-yl-5,6-dihydrocarbazol-3-amine.

Molecular Properties

Compound NameN-methyl-N-phenyl-9-propan-2-yl-5,6-dihydrocarbazol-3-amine
PubChem CID66656683
Molecular FormulaC22H24N2
Molecular Weight316.45 g/mol
Exact Mass316.19
IUPAC NameN-methyl-N-phenyl-9-propan-2-yl-5,6-dihydrocarbazol-3-amine
SMILESCC(C)n1c2c(c3cc(N(C)c4ccccc4)ccc31)CCC=C2
InChIInChI=1S/C22H24N2/c1-16(2)24-21-12-8-7-11-19(21)20-15-18(13-14-22(20)24)23(3)17-9-5-4-6-10-17/h4-6,8-10,12-16H,7,11H2,1-3H3
InChIKeyFYUPWHGFFXBMPE-UHFFFAOYSA-N
XLogP5.95
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.45
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,9-dimethyl-N-(4-phenylphenyl)-5,6-dihydrocarbazol-3-amine
CID 149474002
4-N-(9-cyclohexa-1,5-dien-1-yl-5,6-dihydrocarbazol-3-yl)-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 143216545
6-N,6-N,11-N,11-N-tetraphenyl-2,14-diazaheptacyclo[12.10.1.12,9.03,8.015,20.021,25.013,26]hexacosa-1(24),3(8),4,6,9(26),10,12,15(20),16,21(25),22-undecaene-6,11-diamine
CID 170075570
N-(9,9-dimethyl-5,6-dihydrofluoren-3-yl)-N,9-diphenyl-5,6-dihydrocarbazol-3-amine
CID 70904528
N-(4-fluorophenyl)-N-[4-[4-(4-fluoro-N-(9-phenyl-5,6-dihydrocarbazol-3-yl)anilino)phenyl]phenyl]-9-phenylcarbazol-3-amine
CID 129301071
6-tert-butyl-9-phenyl-3,4-dihydrocarbazole
CID 134351479
cyclohexa-1,3-diene;N-methyl-N-phenylaniline
CID 163291837
N-methyl-N,9-diphenyl-6-propyl-5,6-dihydrocarbazol-3-amine
CID 70907077
6,9-dimethyl-3,4-dihydrocarbazole
CID 134550715
N-methyl-N-(4-phenylphenyl)-7,8-dihydronaphthalen-2-amine
CID 70877215
6-methyl-N,N-diphenyl-9-propan-2-ylcarbazol-3-amine;toluene
CID 142539039
9-butan-2-yl-N-methyl-N-phenylcarbazol-3-amine;N,9-dimethyl-N-phenylcarbazol-3-amine;9-ethyl-N-methyl-N-phenylcarbazol-3-amine;N-methyl-N-phenyl-9-propan-2-ylcarbazol-3-amine;N-methyl-N-phenyl-9-propylcarbazol-3-amine
CID 159717968

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-phenyl-9-propan-2-yl-5,6-dihydrocarbazol-3-amine?
The IUPAC name of N-methyl-N-phenyl-9-propan-2-yl-5,6-dihydrocarbazol-3-amine (CID 66656683) is N-methyl-N-phenyl-9-propan-2-yl-5,6-dihydrocarbazol-3-amine.
What is the SMILES notation for N-methyl-N-phenyl-9-propan-2-yl-5,6-dihydrocarbazol-3-amine?
The canonical SMILES for N-methyl-N-phenyl-9-propan-2-yl-5,6-dihydrocarbazol-3-amine is CC(C)n1c2c(c3cc(N(C)c4ccccc4)ccc31)CCC=C2.
What is the InChIKey of N-methyl-N-phenyl-9-propan-2-yl-5,6-dihydrocarbazol-3-amine?
The InChIKey is FYUPWHGFFXBMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2/c1-16(2)24-21-12-8-7-11-19(21)20-15-18(13-14-22(20)24)23(3)17-9-5-4-6-10-17/h4-6,8-10,12-16H,7,11H2,1-3H3.
What are the key properties of N-methyl-N-phenyl-9-propan-2-yl-5,6-dihydrocarbazol-3-amine?
N-methyl-N-phenyl-9-propan-2-yl-5,6-dihydrocarbazol-3-amine has a molecular weight of 316.45 g/mol, XLogP of 5.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-phenyl-9-propan-2-yl-5,6-dihydrocarbazol-3-amine is sourced from PubChem (CID 66656683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).