4-(2,3-dihydro-1H-inden-2-yl)-4-phenyl-N,N-di(propan-2-yl)butan-1-amine

C25H35N — CID 21440812

IUPAC4-(2,3-dihydro-1H-inden-2-yl)-4-phenyl-N,N-di(propan-2-yl)butan-1-amine
SMILESCC(C)N(CCCC(c1ccccc1)C1Cc2ccccc2C1)C(C)C
InChIInChI=1S/C25H35N/c1-19(2)26(20(3)4)16-10-15-25(21-11-6-5-7-12-21)24-17-22-13-8-9-14-23(22)18-24/h5-9,11-14,19-20,24-25H,10,15-18H2,1-4H3
InChIKeyZZRBDWXEVJTAKN-UHFFFAOYSA-N
MW349.56 g/mol
LogP6.08
Rot. Bonds8

About 4-(2,3-dihydro-1H-inden-2-yl)-4-phenyl-N,N-di(propan-2-yl)butan-1-amine

4-(2,3-dihydro-1H-inden-2-yl)-4-phenyl-N,N-di(propan-2-yl)butan-1-amine (PubChem CID 21440812) has the molecular formula C25H35N and a molecular weight of 349.56 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-inden-2-yl)-4-phenyl-N,N-di(propan-2-yl)butan-1-amine.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-inden-2-yl)-4-phenyl-N,N-di(propan-2-yl)butan-1-amine
PubChem CID21440812
Molecular FormulaC25H35N
Molecular Weight349.56 g/mol
Exact Mass349.28
IUPAC Name4-(2,3-dihydro-1H-inden-2-yl)-4-phenyl-N,N-di(propan-2-yl)butan-1-amine
SMILESCC(C)N(CCCC(c1ccccc1)C1Cc2ccccc2C1)C(C)C
InChIInChI=1S/C25H35N/c1-19(2)26(20(3)4)16-10-15-25(21-11-6-5-7-12-21)24-17-22-13-8-9-14-23(22)18-24/h5-9,11-14,19-20,24-25H,10,15-18H2,1-4H3
InChIKeyZZRBDWXEVJTAKN-UHFFFAOYSA-N
XLogP6.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.56
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-inden-2-yl)-4-phenyl-N,N-di(propan-2-yl)butan-1-amine?
The IUPAC name of 4-(2,3-dihydro-1H-inden-2-yl)-4-phenyl-N,N-di(propan-2-yl)butan-1-amine (CID 21440812) is 4-(2,3-dihydro-1H-inden-2-yl)-4-phenyl-N,N-di(propan-2-yl)butan-1-amine.
What is the SMILES notation for 4-(2,3-dihydro-1H-inden-2-yl)-4-phenyl-N,N-di(propan-2-yl)butan-1-amine?
The canonical SMILES for 4-(2,3-dihydro-1H-inden-2-yl)-4-phenyl-N,N-di(propan-2-yl)butan-1-amine is CC(C)N(CCCC(c1ccccc1)C1Cc2ccccc2C1)C(C)C.
What is the InChIKey of 4-(2,3-dihydro-1H-inden-2-yl)-4-phenyl-N,N-di(propan-2-yl)butan-1-amine?
The InChIKey is ZZRBDWXEVJTAKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N/c1-19(2)26(20(3)4)16-10-15-25(21-11-6-5-7-12-21)24-17-22-13-8-9-14-23(22)18-24/h5-9,11-14,19-20,24-25H,10,15-18H2,1-4H3.
What are the key properties of 4-(2,3-dihydro-1H-inden-2-yl)-4-phenyl-N,N-di(propan-2-yl)butan-1-amine?
4-(2,3-dihydro-1H-inden-2-yl)-4-phenyl-N,N-di(propan-2-yl)butan-1-amine has a molecular weight of 349.56 g/mol, XLogP of 6.08, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1H-inden-2-yl)-4-phenyl-N,N-di(propan-2-yl)butan-1-amine is sourced from PubChem (CID 21440812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).