5-[1-(3-amino-4-propan-2-ylphenyl)-2-methylhexyl]-2-propan-2-ylaniline

C25H38N2 — CID 158317469

IUPAC5-[1-(3-amino-4-propan-2-ylphenyl)-2-methylhexyl]-2-propan-2-ylaniline
SMILESCCCCC(C)C(c1ccc(C(C)C)c(N)c1)c1ccc(C(C)C)c(N)c1
InChIInChI=1S/C25H38N2/c1-7-8-9-18(6)25(19-10-12-21(16(2)3)23(26)14-19)20-11-13-22(17(4)5)24(27)15-20/h10-18,25H,7-9,26-27H2,1-6H3
InChIKeyGOLCMCCEVPUHKP-UHFFFAOYSA-N
MW366.59 g/mol
LogP7.06
Rot. Bonds8

About 5-[1-(3-amino-4-propan-2-ylphenyl)-2-methylhexyl]-2-propan-2-ylaniline

5-[1-(3-amino-4-propan-2-ylphenyl)-2-methylhexyl]-2-propan-2-ylaniline (PubChem CID 158317469) has the molecular formula C25H38N2 and a molecular weight of 366.59 g/mol. Its IUPAC name is 5-[1-(3-amino-4-propan-2-ylphenyl)-2-methylhexyl]-2-propan-2-ylaniline.

Molecular Properties

Compound Name5-[1-(3-amino-4-propan-2-ylphenyl)-2-methylhexyl]-2-propan-2-ylaniline
PubChem CID158317469
Molecular FormulaC25H38N2
Molecular Weight366.59 g/mol
Exact Mass366.30
IUPAC Name5-[1-(3-amino-4-propan-2-ylphenyl)-2-methylhexyl]-2-propan-2-ylaniline
SMILESCCCCC(C)C(c1ccc(C(C)C)c(N)c1)c1ccc(C(C)C)c(N)c1
InChIInChI=1S/C25H38N2/c1-7-8-9-18(6)25(19-10-12-21(16(2)3)23(26)14-19)20-11-13-22(17(4)5)24(27)15-20/h10-18,25H,7-9,26-27H2,1-6H3
InChIKeyGOLCMCCEVPUHKP-UHFFFAOYSA-N
XLogP7.06
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.59
LogP ≤ 57.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[2-amino-5-[1-[4-amino-3-(1-hydroxy-2-methylpentyl)phenyl]-2-methylpentyl]phenyl]-2-methylpentan-1-ol
CID 89000820
1-[2,4-di(propan-2-yl)phenyl]hexan-1-amine
CID 43125390
1-(2-propan-2-ylphenyl)pentan-1-amine
CID 171922235
1-[2,4-di(propan-2-yl)phenyl]hexan-1-ol
CID 63427128
1-[2,4-di(propan-2-yl)phenyl]heptan-1-ol
CID 114753381
ethane;5-methyl-2-propan-2-ylaniline
CID 142850696
1-hexan-2-yl-4-propan-2-ylbenzene
CID 139769010
5-(chloromethyl)-2-propan-2-ylaniline
CID 89209031
1-(1-bromoheptyl)-2,4-di(propan-2-yl)benzene
CID 114753582
3-(3-amino-4-propan-2-ylphenyl)propane-1-thiol
CID 130271394
4-[1-[4-amino-3,5-di(propan-2-yl)phenyl]decyl]-2,6-di(propan-2-yl)aniline
CID 151636757
1-heptan-3-yl-4-propan-2-ylbenzene
CID 58413560

Frequently Asked Questions

What is the IUPAC name of 5-[1-(3-amino-4-propan-2-ylphenyl)-2-methylhexyl]-2-propan-2-ylaniline?
The IUPAC name of 5-[1-(3-amino-4-propan-2-ylphenyl)-2-methylhexyl]-2-propan-2-ylaniline (CID 158317469) is 5-[1-(3-amino-4-propan-2-ylphenyl)-2-methylhexyl]-2-propan-2-ylaniline.
What is the SMILES notation for 5-[1-(3-amino-4-propan-2-ylphenyl)-2-methylhexyl]-2-propan-2-ylaniline?
The canonical SMILES for 5-[1-(3-amino-4-propan-2-ylphenyl)-2-methylhexyl]-2-propan-2-ylaniline is CCCCC(C)C(c1ccc(C(C)C)c(N)c1)c1ccc(C(C)C)c(N)c1.
What is the InChIKey of 5-[1-(3-amino-4-propan-2-ylphenyl)-2-methylhexyl]-2-propan-2-ylaniline?
The InChIKey is GOLCMCCEVPUHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38N2/c1-7-8-9-18(6)25(19-10-12-21(16(2)3)23(26)14-19)20-11-13-22(17(4)5)24(27)15-20/h10-18,25H,7-9,26-27H2,1-6H3.
What are the key properties of 5-[1-(3-amino-4-propan-2-ylphenyl)-2-methylhexyl]-2-propan-2-ylaniline?
5-[1-(3-amino-4-propan-2-ylphenyl)-2-methylhexyl]-2-propan-2-ylaniline has a molecular weight of 366.59 g/mol, XLogP of 7.06, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3-amino-4-propan-2-ylphenyl)-2-methylhexyl]-2-propan-2-ylaniline is sourced from PubChem (CID 158317469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).