4-(5-tert-butyl-2-methylphenyl)-3-methylpentan-1-amine

C17H29N — CID 83935321

IUPAC4-(5-tert-butyl-2-methylphenyl)-3-methylpentan-1-amine
SMILESCc1ccc(C(C)(C)C)cc1C(C)C(C)CCN
InChIInChI=1S/C17H29N/c1-12(9-10-18)14(3)16-11-15(17(4,5)6)8-7-13(16)2/h7-8,11-12,14H,9-10,18H2,1-6H3
InChIKeyHWELSCMFYXTBDR-UHFFFAOYSA-N
MW247.43 g/mol
LogP4.38
Rot. Bonds4

About 4-(5-tert-butyl-2-methylphenyl)-3-methylpentan-1-amine

4-(5-tert-butyl-2-methylphenyl)-3-methylpentan-1-amine (PubChem CID 83935321) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is 4-(5-tert-butyl-2-methylphenyl)-3-methylpentan-1-amine.

Molecular Properties

Compound Name4-(5-tert-butyl-2-methylphenyl)-3-methylpentan-1-amine
PubChem CID83935321
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC Name4-(5-tert-butyl-2-methylphenyl)-3-methylpentan-1-amine
SMILESCc1ccc(C(C)(C)C)cc1C(C)C(C)CCN
InChIInChI=1S/C17H29N/c1-12(9-10-18)14(3)16-11-15(17(4,5)6)8-7-13(16)2/h7-8,11-12,14H,9-10,18H2,1-6H3
InChIKeyHWELSCMFYXTBDR-UHFFFAOYSA-N
XLogP4.38
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.43
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-amino-1-(5-tert-butyl-2-methylphenyl)propan-1-ol
CID 82048901
1-(5-tert-butyl-2-methylphenyl)-N,N,2-trimethylpropane-1,3-diamine
CID 116904659
4-tert-butyl-2-(4-chlorobutan-2-yl)-1-methylbenzene
CID 82084225
4-tert-butyl-2-(2-deuteriopropan-2-yl)-1-methylbenzene
CID 157217338
N-(5-tert-butyl-2-methylphenyl)-N,2-dimethylbutane-1,4-diamine
CID 115202418
2-(5-tert-butyl-2-methylphenyl)-3-methylbutan-1-ol
CID 82083216
1-(5-tert-butyl-2-methylphenyl)-3-chloro-N-methylpropan-1-amine
CID 116952746
2-(4-tert-butyl-2-methylphenyl)-N,N-dimethylbutane-1,4-diamine
CID 112517060
3-methyl-4-[2-methyl-4-(2-methylpropoxy)phenyl]pentan-1-amine
CID 83936964
3-(5-tert-butyl-2-methylphenyl)hexan-1-ol
CID 112508716
3-[amino-(5-tert-butyl-2-methylphenyl)methyl]cyclobutan-1-amine
CID 116937320
2-(5-tert-butyl-2-methylphenyl)pentanenitrile
CID 82081697

Frequently Asked Questions

What is the IUPAC name of 4-(5-tert-butyl-2-methylphenyl)-3-methylpentan-1-amine?
The IUPAC name of 4-(5-tert-butyl-2-methylphenyl)-3-methylpentan-1-amine (CID 83935321) is 4-(5-tert-butyl-2-methylphenyl)-3-methylpentan-1-amine.
What is the SMILES notation for 4-(5-tert-butyl-2-methylphenyl)-3-methylpentan-1-amine?
The canonical SMILES for 4-(5-tert-butyl-2-methylphenyl)-3-methylpentan-1-amine is Cc1ccc(C(C)(C)C)cc1C(C)C(C)CCN.
What is the InChIKey of 4-(5-tert-butyl-2-methylphenyl)-3-methylpentan-1-amine?
The InChIKey is HWELSCMFYXTBDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-12(9-10-18)14(3)16-11-15(17(4,5)6)8-7-13(16)2/h7-8,11-12,14H,9-10,18H2,1-6H3.
What are the key properties of 4-(5-tert-butyl-2-methylphenyl)-3-methylpentan-1-amine?
4-(5-tert-butyl-2-methylphenyl)-3-methylpentan-1-amine has a molecular weight of 247.43 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-tert-butyl-2-methylphenyl)-3-methylpentan-1-amine is sourced from PubChem (CID 83935321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).