(4-butan-2-ylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine

C20H25N — CID 43111676

IUPAC(4-butan-2-ylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
SMILESCCC(C)c1ccc(C(N)c2ccc3c(c2)CCC3)cc1
InChIInChI=1S/C20H25N/c1-3-14(2)15-7-10-17(11-8-15)20(21)19-12-9-16-5-4-6-18(16)13-19/h7-14,20H,3-6,21H2,1-2H3
InChIKeySXAJOADOGXPASJ-UHFFFAOYSA-N
MW279.43 g/mol
LogP4.74
Rot. Bonds4

About (4-butan-2-ylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine

(4-butan-2-ylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine (PubChem CID 43111676) has the molecular formula C20H25N and a molecular weight of 279.43 g/mol. Its IUPAC name is (4-butan-2-ylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine.

Molecular Properties

Compound Name(4-butan-2-ylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
PubChem CID43111676
Molecular FormulaC20H25N
Molecular Weight279.43 g/mol
Exact Mass279.20
IUPAC Name(4-butan-2-ylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
SMILESCCC(C)c1ccc(C(N)c2ccc3c(c2)CCC3)cc1
InChIInChI=1S/C20H25N/c1-3-14(2)15-7-10-17(11-8-15)20(21)19-12-9-16-5-4-6-18(16)13-19/h7-14,20H,3-6,21H2,1-2H3
InChIKeySXAJOADOGXPASJ-UHFFFAOYSA-N
XLogP4.74
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,3-dihydro-1H-inden-5-yl-(4-propan-2-ylphenyl)methanamine
CID 43115552
(4-butan-2-ylphenyl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanamine
CID 43464272
(4-methylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine
CID 43095172
2,3-dihydro-1H-inden-5-yl-(3-ethylphenyl)methanamine
CID 105018656
(4-butan-2-ylphenyl)-(3,4-dimethylphenyl)methanamine
CID 43108648
(3,5-dichlorophenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 43115602
2,3-dihydro-1H-inden-5-yl-(3,5-dimethoxyphenyl)methanamine
CID 43115585
2,3-dihydro-1H-inden-5-ylmethanediamine
CID 116939135
5-(1-chloropropyl)-2,3-dihydro-1H-indene
CID 61086419
ethyl 2-(2,3-dihydro-1H-inden-5-yl)propanoate
CID 164900857
(4-bromophenyl)-(4-butan-2-ylphenyl)methanamine
CID 43096152
2-amino-1-(2,3-dihydro-1H-inden-5-yl)-3-methylbutan-1-ol
CID 82285998

Frequently Asked Questions

What is the IUPAC name of (4-butan-2-ylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine?
The IUPAC name of (4-butan-2-ylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine (CID 43111676) is (4-butan-2-ylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine.
What is the SMILES notation for (4-butan-2-ylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine?
The canonical SMILES for (4-butan-2-ylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine is CCC(C)c1ccc(C(N)c2ccc3c(c2)CCC3)cc1.
What is the InChIKey of (4-butan-2-ylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine?
The InChIKey is SXAJOADOGXPASJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N/c1-3-14(2)15-7-10-17(11-8-15)20(21)19-12-9-16-5-4-6-18(16)13-19/h7-14,20H,3-6,21H2,1-2H3.
What are the key properties of (4-butan-2-ylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine?
(4-butan-2-ylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine has a molecular weight of 279.43 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butan-2-ylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine is sourced from PubChem (CID 43111676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).