N-butan-2-yl-4-[2-[4-(butan-2-ylamino)phenyl]-3,6-di(propan-2-yl)phenyl]aniline

C32H44N2 — CID 70358455

IUPACN-butan-2-yl-4-[2-[4-(butan-2-ylamino)phenyl]-3,6-di(propan-2-yl)phenyl]aniline
SMILESCCC(C)Nc1ccc(-c2c(C(C)C)ccc(C(C)C)c2-c2ccc(NC(C)CC)cc2)cc1
InChIInChI=1S/C32H44N2/c1-9-23(7)33-27-15-11-25(12-16-27)31-29(21(3)4)19-20-30(22(5)6)32(31)26-13-17-28(18-14-26)34-24(8)10-2/h11-24,33-34H,9-10H2,1-8H3
InChIKeyCASPALSTMDTGCK-UHFFFAOYSA-N
MW456.72 g/mol
LogP9.69
Rot. Bonds10

About N-butan-2-yl-4-[2-[4-(butan-2-ylamino)phenyl]-3,6-di(propan-2-yl)phenyl]aniline

N-butan-2-yl-4-[2-[4-(butan-2-ylamino)phenyl]-3,6-di(propan-2-yl)phenyl]aniline (PubChem CID 70358455) has the molecular formula C32H44N2 and a molecular weight of 456.72 g/mol. Its IUPAC name is N-butan-2-yl-4-[2-[4-(butan-2-ylamino)phenyl]-3,6-di(propan-2-yl)phenyl]aniline.

Molecular Properties

Compound NameN-butan-2-yl-4-[2-[4-(butan-2-ylamino)phenyl]-3,6-di(propan-2-yl)phenyl]aniline
PubChem CID70358455
Molecular FormulaC32H44N2
Molecular Weight456.72 g/mol
Exact Mass456.35
IUPAC NameN-butan-2-yl-4-[2-[4-(butan-2-ylamino)phenyl]-3,6-di(propan-2-yl)phenyl]aniline
SMILESCCC(C)Nc1ccc(-c2c(C(C)C)ccc(C(C)C)c2-c2ccc(NC(C)CC)cc2)cc1
InChIInChI=1S/C32H44N2/c1-9-23(7)33-27-15-11-25(12-16-27)31-29(21(3)4)19-20-30(22(5)6)32(31)26-13-17-28(18-14-26)34-24(8)10-2/h11-24,33-34H,9-10H2,1-8H3
InChIKeyCASPALSTMDTGCK-UHFFFAOYSA-N
XLogP9.69
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.72
LogP ≤ 59.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-[2-[4-(butan-2-ylamino)phenyl]-3,6-di(propan-2-yl)phenyl]aniline?
The IUPAC name of N-butan-2-yl-4-[2-[4-(butan-2-ylamino)phenyl]-3,6-di(propan-2-yl)phenyl]aniline (CID 70358455) is N-butan-2-yl-4-[2-[4-(butan-2-ylamino)phenyl]-3,6-di(propan-2-yl)phenyl]aniline.
What is the SMILES notation for N-butan-2-yl-4-[2-[4-(butan-2-ylamino)phenyl]-3,6-di(propan-2-yl)phenyl]aniline?
The canonical SMILES for N-butan-2-yl-4-[2-[4-(butan-2-ylamino)phenyl]-3,6-di(propan-2-yl)phenyl]aniline is CCC(C)Nc1ccc(-c2c(C(C)C)ccc(C(C)C)c2-c2ccc(NC(C)CC)cc2)cc1.
What is the InChIKey of N-butan-2-yl-4-[2-[4-(butan-2-ylamino)phenyl]-3,6-di(propan-2-yl)phenyl]aniline?
The InChIKey is CASPALSTMDTGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H44N2/c1-9-23(7)33-27-15-11-25(12-16-27)31-29(21(3)4)19-20-30(22(5)6)32(31)26-13-17-28(18-14-26)34-24(8)10-2/h11-24,33-34H,9-10H2,1-8H3.
What are the key properties of N-butan-2-yl-4-[2-[4-(butan-2-ylamino)phenyl]-3,6-di(propan-2-yl)phenyl]aniline?
N-butan-2-yl-4-[2-[4-(butan-2-ylamino)phenyl]-3,6-di(propan-2-yl)phenyl]aniline has a molecular weight of 456.72 g/mol, XLogP of 9.69, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-[2-[4-(butan-2-ylamino)phenyl]-3,6-di(propan-2-yl)phenyl]aniline is sourced from PubChem (CID 70358455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).